SCHEMBL3635340

SCHEMBL3635340

COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccnc(OC)c4)n3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.49
▸ CFTR P13569 2/20 0.49
▸ NR1I2 O75469 1/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ ELOVL1 Q9BW60 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ WNT3A P56704 2/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 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
SCHEMBL19594658 0.91 CYP2C9 (0.47) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL16168306 0.89 NR1I2 (0.46) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL12170175 0.87 CACNA1G (0.49) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL12170278 0.86 CFTR (0.54) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL12170159 0.86 KDM4E (0.51) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL16420197 0.85 CFTR (0.45) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL12170207 0.85 CFTR (0.55) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL16422003 0.85 CFTR (0.70) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL12170203 0.84 CACNA1G (0.54) ADORA3CFTRNR1I2CYP2C8CYP2C9
SCHEMBL3639551 0.83 CFTR (0.51) ADORA3CFTRNR1I2CYP2C8CYP2C9

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-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 — — EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 — — EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 — — US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 — — US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 — — US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 — — US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 — — US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 — — US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 — — US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 — — US disclosed
US-8969386-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-03-03 — — US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 — — US disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 — — EP disclosed
EP-2164840-A2 MODULATORS OF CFTR Vertex Pharmaceuticals Incorporated (US) 2010-03-24 — — EP disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 — — 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 (2 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 ADORA3 281/4885CFTR 1/4885NR1I2 889/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 ADORA3 281/4885CFTR 1/4885NR1I2 889/4885

“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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