SCHEMBL3553683

SCHEMBL3553683

O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccncc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.53
SPR P35270 2/20 0.52
PROKR1 Q8TCW9 8/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NAMPT P43490 1/20 0.44
MGLL Q99685 1/20 0.42
GRM5 P41594 1/20 0.42
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
SCD5 Q86SK9 1/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3545834 0.91 RAB9A (0.52) HSD11B1SPRPROKR1HCRTR1HCRTR2
SCHEMBL3553605 0.90 HCRTR1 (0.48) HSD11B1SPRPROKR1HCRTR1HCRTR2
SCHEMBL3546175 0.90 NAMPT (0.56) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3546776 0.90 SPR (0.44) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3547361 0.89 HCRTR1 (0.55) SPRHCRTR1HCRTR2SCD5NPC1
SCHEMBL13501728 0.89 HSD11B1 (0.57) HSD11B1SPRPROKR1HCRTR1HCRTR2
SCHEMBL13501689 0.89 HSD11B1 (0.57) HSD11B1SPRPROKR1HCRTR1HCRTR2
SCHEMBL3554021 0.89 HSD11B1 (0.57) HSD11B1SPRPROKR1HCRTR1HCRTR2
SCHEMBL3542550 0.89 PROKR1 (0.50) PROKR1HCRTR1HCRTR2MGLLLMNA
SCHEMBL3551746 0.88 SPR (0.51) HSD11B1SPRHCRTR1HCRTR2NAMPT

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 HSD11B1 2/4885SPR 256/4885PROKR1 878/4885

“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.