SCHEMBL4120652

SCHEMBL4120652

COc1cccc(OC(=O)C2CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
MTNR1A P48039 8/20 0.54
MTNR1B P49286 8/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ELANE P08246 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL2475467 0.94 POLB (0.52) POLBMTNR1AMTNR1BL3MBTL1MAPT
SCHEMBL8316646 0.93 POLB (0.63) POLBMTNR1AMTNR1BL3MBTL1MAPT
SCHEMBL8587545 0.92 POLB (0.70) POLBL3MBTL1MAPTHTTKMT2A
SCHEMBL4544899 0.83 LMNA (0.61) POLBL3MBTL1MAPTHTTKMT2A
SCHEMBL27947134 0.83 LMNA (0.61) POLBL3MBTL1MAPTHTTKMT2A
SCHEMBL3760925 0.82 KMT2A (0.68) POLBL3MBTL1HTTKMT2ASMN1; SMN2
SCHEMBL12536537 0.82 KMT2A (0.68) POLBL3MBTL1HTTKMT2ASMN1; SMN2
SCHEMBL16860005 0.81 POLB (0.56) POLBMTNR1AMTNR1BL3MBTL1MAPT
SCHEMBL15092194 0.81 POLB (0.84) POLBL3MBTL1MAPTHTTKMT2A
Hydrochloric Acid SCHEMBL11281695 0.80 MTNR1A (0.46) POLBMTNR1AMTNR1BKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560855-B Cycloalkyl carboxamide derivatives, preparation method and application thereof 成都苑东生物制药股份有限公司 2023-05-23 CN disclosed
CN-114560855-A Cycloalkylcarboxamide derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2022-05-31 CN disclosed
US-10987348-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-27 US disclosed
US-10975061-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-04-13 US disclosed
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-16 US disclosed
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-14 US disclosed
CN-102863432-B CFTR conditioning agent 沃泰克斯药物股份有限公司 2016-09-07 CN disclosed
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMA (US) 2015-04-02 US disclosed
US-8952050-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
CN-101395147-B 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis VERTEX PHARMA 2013-05-29 CN disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
CN-101715450-A Azaindole derivatives as cftr modulators VERTEX PHARMA 2010-05-26 CN disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
CN-101395147-A 1- (benzo [ D ] [1,3] dioxol-5-yl) -N- (phenyl) cyclopropane-carboxamide derivatives and related compounds as modulators of ATP-binding cassette transporters for the treatment of cystic fibrosis VERTEX PHARMA (US) 2009-03-25 CN disclosed
CN-101356170-A Heterocyclic modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2009-01-28 CN disclosed
CN-101351448-A Novel 1-benzyl-4-piperidinamines for the treatment of COPD and asthma ASTRAZENECA AB (SE) 2009-01-21 CN disclosed
EP-1957495-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-08-20 EP disclosed
WO-2007064045-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-06-07 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 (7 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-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 POLB 1603/4885MTNR1A 2824/4885MTNR1B 2374/4885
US-20150094304-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 POLB 2183/4885MTNR1A 2125/4885MTNR1B 1532/4885
US-10987348-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885MTNR1A 2125/4885MTNR1B 1532/4885
US-10975061-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 POLB 2183/4885MTNR1A 2125/4885MTNR1B 1532/4885
US-20190076419-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885MTNR1A 2125/4885MTNR1B 1532/4885
US-20200115366-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 POLB 2183/4885MTNR1A 2125/4885MTNR1B 1532/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 POLB 1603/4885MTNR1A 2824/4885MTNR1B 2374/4885

“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.