SCHEMBL3543167

SCHEMBL3543167

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.55
SCD5 Q86SK9 5/20 0.53
HSD11B1 P28845 5/20 0.49
NAMPT P43490 2/20 0.44
SCD O00767 2/20 0.42
RORC P51449 1/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 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
SCHEMBL3542867 0.91 SCD5 (0.63) SPRSCD5HSD11B1SCDHCRTR1
SCHEMBL3550082 0.90 SCD5 (0.55) SPRSCD5HSD11B1SCDHCRTR1
SCHEMBL3542433 0.87 SCD5 (0.56) SPRSCD5HSD11B1
SCHEMBL13501691 0.86 HCRTR1 (0.53) SPRSCD5HSD11B1NAMPTSCD
SCHEMBL3551569 0.86 HCRTR1 (0.53) SPRSCD5HSD11B1NAMPTSCD
SCHEMBL13501692 0.86 HCRTR1 (0.53) SPRSCD5HSD11B1NAMPTSCD
SCHEMBL3549425 0.86 SCD5 (0.55) SPRSCD5HSD11B1NAMPTSCD
SCHEMBL3546223 0.86 SCD5 (0.46) SPRSCD5HSD11B1NAMPTHCRTR1
SCHEMBL3544586 0.85 SCD5 (0.54) SPRSCD5HSD11B1SCDHCRTR1
SCHEMBL13501728 0.85 HSD11B1 (0.57) SPRSCD5HSD11B1NAMPTSCD

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 9 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
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO 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 SPR 256/4885SCD5 1155/4885HSD11B1 2/4885

“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.