SCHEMBL3546359

SCHEMBL3546359

Cc1onc(-c2ccc(Cl)cc2)c1C(=O)N(C)C

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 17/20 0.78
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
GHSR Q92847 1/20 0.55
POLB P06746 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL13501825 0.85 KMT2A (0.68) GPBAR1POLB
SCHEMBL3548012 0.83 GPBAR1 (0.66) GPBAR1GHSRPOLBNPC1
SCHEMBL1575050 0.83 GPBAR1 (0.66) GPBAR1GHSRPOLBNPC1
SCHEMBL5708155 0.83 GPBAR1 (0.66) GPBAR1GHSRPOLBNPC1
SCHEMBL3554810 0.79 GPBAR1 (0.72) GPBAR1GHSRPOLB
SCHEMBL11419174 0.79 GPBAR1 (0.61) GPBAR1GHSRPOLBNPC1
SCHEMBL3545014 0.77 GPBAR1 (0.79) GPBAR1CYP3A4CYP2C19
SCHEMBL286360 0.77 GPBAR1 (0.62) GPBAR1GHSRPOLBNPC1
SCHEMBL10262345 0.72 GPBAR1 (0.51) GPBAR1GHSRPOLBNPC1
SCHEMBL4300399 0.72 ATM (0.54) GPBAR1CYP3A4GHSRPOLBNPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (1 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 GPBAR1 365/4885CYP3A4 61/4885CYP2C19 50/4885

“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.