SCHEMBL3545291

SCHEMBL3545291

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccc2Cl)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.50
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
HSD11B1 P28845 5/20 0.46
PROKR1 Q8TCW9 1/20 0.44
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 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 0.89 SCD5 (0.63) SCD5NPC1RAB9AHSD11B1HCRTR1
SCHEMBL3542433 0.88 SCD5 (0.56) SCD5ALDH1A1NPC1RAB9AHSD11B1
SCHEMBL3550082 0.87 SCD5 (0.55) SCD5NPC1RAB9AHSD11B1HCRTR1
SCHEMBL3555631 0.86 HCRTR1 (0.51) SCD5ALDH1A1NPC1RAB9AHSD11B1
SCHEMBL3544586 0.86 SCD5 (0.54) SCD5ALDH1A1NPC1RAB9AHSD11B1
SCHEMBL3546304 0.86 SPR (0.54) SCD5ALDH1A1HSD11B1HCRTR1HCRTR2
SCHEMBL3544990 0.86 SCD5 (0.54) SCD5NPC1RAB9AHSD11B1PROKR1
SCHEMBL3543167 0.85 SPR (0.55) SCD5HSD11B1HCRTR1HCRTR2
SCHEMBL13501697 0.85 SCD5 (0.54) SCD5ALDH1A1RAB9AHCRTR1HCRTR2
SCHEMBL3546223 0.84 SCD5 (0.46) SCD5ALDH1A1HSD11B1HCRTR1HCRTR2

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 SCD5 1155/4885ALDH1A1 86/4885NPC1 1594/4885

“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.