SCHEMBL4124081

SCHEMBL4124081

COc1ccc(C2(C(=O)Nc3ccc(Cc4ccccc4OC)cn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1G O43497 1/20 0.54
▸ CACNA1H O95180 1/20 0.54
▸ CACNA1I Q9P0X4 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ELOVL1 Q9BW60 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ FPR1 P21462 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41

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
SCHEMBL4109935 0.93 L3MBTL1 (0.52) CACNA1GCACNA1HCACNA1IALDH1A1KMT2A
SCHEMBL4122330 0.92 KMT2A (0.46) CACNA1GCACNA1HCACNA1IALDH1A1MAPK1
SCHEMBL4129333 0.91 MEN1 (0.48) CACNA1GCACNA1HCACNA1IALDH1A1SMN1; SMN2
SCHEMBL4117091 0.91 CSNK1D (0.47) CACNA1GCACNA1HCACNA1IALDH1A1MAPK1
SCHEMBL15109033 0.90 CACNA1G (0.54) CACNA1GCACNA1HCACNA1IALDH1A1MAPK1
SCHEMBL4116625 0.89 ELOVL1 (0.49) CACNA1GCACNA1HCACNA1IALDH1A1MAPK1
SCHEMBL4116848 0.89 KMT2A (0.48) CACNA1GCACNA1HCACNA1IALDH1A1KMT2A
SCHEMBL4116873 0.86 KMT2A (0.42) ALDH1A1MAPK1KMT2AMEN1L3MBTL1
SCHEMBL4110014 0.85 CFTR (0.52) ALDH1A1MAPK1
SCHEMBL13653572 0.84 HDAC4 (0.46) ALDH1A1MAPK1KMT2AMEN1L3MBTL1

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-2980077-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2020-05-06 — — EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 — — EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 — — EP disclosed
EP-2615085-B1 Pyridyl derivatives as CFTR modulators VERTEX PHARMA (US) 2015-08-26 — — EP disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 — — US disclosed
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 — — US disclosed
EP-2271621-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2013-11-20 — — EP disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 — — US 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
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 — — US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 — — US disclosed
WO-2009123896-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 — — WO disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 — — 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 (3 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 CACNA1G 2956/4885CACNA1H 3049/4885CACNA1I 3004/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 CACNA1G 2956/4885CACNA1H 3049/4885CACNA1I 3004/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 CACNA1G 2956/4885CACNA1H 3049/4885CACNA1I 3004/4885

“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.

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