SCHEMBL14038151

SCHEMBL14038151

Cc1cc(NC(=O)C2(c3ccc4c(c3)CCO4)CC2)nc(-c2ccc(=O)[nH]c2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CFTR P13569 15/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ WDR5 P61964 1/20 0.36
▸ PTGER3 P43115 1/20 0.35
▸ DNM1L O00429 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL3668319 0.93 CFTR (0.38) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL3640725 0.89 NPC1 (0.38) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL14038008 0.86 CFTR (0.42) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL14038112 0.85 CFTR (0.50) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL16422093 0.84 CFTR (0.55) CFTRNR1I2ADORA3CYP2C8CYP2C9
SCHEMBL3636415 0.82 GPR142 (0.41) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL3637763 0.82 POLQ (0.39) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL14038066 0.82 MAP4K1 (0.38) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL19225780 0.82 NPC1 (0.36) NPC1RAB9ASMN1; SMN2CFTRNR1I2
SCHEMBL16161230 0.80 CFTR (0.42) NPC1RAB9ASMN1; SMN2CFTRNR1I2

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-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 — — 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 NPC1 43/4885RAB9A 1483/4885SMN1; SMN2 4780/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 NPC1 43/4885RAB9A 1483/4885SMN1; SMN2 4780/4885

“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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