SCHEMBL3144864

SCHEMBL3144864

COC(=O)C1(c2ccccc2OC)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.43
LPAR1 Q92633 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
CTSD P07339 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7457587 0.95 L3MBTL1 (0.54) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL30683848 0.95 L3MBTL1 (0.54) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL31382077 0.89 SIGMAR1 (0.61) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL1465128 0.84 SIGMAR1 (0.50) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL20790150 0.84 OPRM1 (0.50) SIGMAR1KMT2AOPRM1OPRD1OPRK1
SCHEMBL8747217 0.83 SIGMAR1 (0.49) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL10002496 0.83 LMNA (0.53) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2
SCHEMBL3141852 0.82 TSHR (0.44) L3MBTL1KMT2AHTTLPAR1CA12
SCHEMBL20790239 0.82 CA12 (0.46) L3MBTL1CTSDCA12CA1CA2
SCHEMBL21034824 0.81 SIGMAR1 (0.47) SIGMAR1L3MBTL1HDAC3HDAC1HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 US disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 US disclosed
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 US disclosed
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 US disclosed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed
EP-3736270-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-11-11 EP disclosed
US-20200277276-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 US disclosed
US-20200277275-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE GLOBAL LIMITED (BM) 2020-09-03 US disclosed
US-20200277274-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 US disclosed
US-20200277273-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2020-09-03 US disclosed
EP-3681864-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-07-22 EP disclosed
WO-2019053634-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie S.à.r.l. (LU) 2019-03-21 WO disclosed
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2019-03-14 US disclosed
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20200277275-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20200277276-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20200277274-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20200277273-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A SIGMAR1 1253/4885L3MBTL1 3452/4885HDAC3 2236/4885
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 SIGMAR1 1722/4885L3MBTL1 4254/4885HDAC3 1130/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.