SCHEMBL20790232

SCHEMBL20790232

COc1ccc(C23CC(C2)C3)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 3/20 0.41
GPR55 Q9Y2T6 1/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
HDAC1 Q13547 1/20 0.38
TUBB1 Q9H4B7 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MCOLN3 Q8TDD5 2/20 0.38
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28520510 0.93 MAOA (0.41) MAOAALDH1A1KMT2AGPR55MEN1
SCHEMBL28510872 0.84 ALDH1A1 (0.46) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL31525445 0.80 MAOA (0.38) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL31525719 0.76 PKM (0.49) MAOAALDH1A1KMT2AGPR55MEN1
SCHEMBL28829926 0.75 ALDH1A1 (0.44) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL14829122 0.75 CTSD (0.52) MAOAALDH1A1KMT2AGPR55MEN1
SCHEMBL30089509 0.75 CTSD (0.52) MAOAALDH1A1KMT2AGPR55MEN1
SCHEMBL195534 0.74 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1LMNAMAPT
SCHEMBL31525303 0.74 ALDH1A1 (0.43) MAOAALDH1A1KMT2AMEN1LMNA
SCHEMBL251712 0.74 MAOA (0.44) MAOAALDH1A1KMT2AMEN1LMNA

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 17 patents. 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-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
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
EP-3736267-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
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-10829473-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-10 US disclosed
EP-3681864-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2020-10-28 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-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
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-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2019-03-14 US 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 MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-20200277275-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-10829473-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-20200277276-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-20200277274-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-20190077784-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-20200277273-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A MAOA 4295/4885ALDH1A1 1969/4885KMT2A 4520/4885

“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.