SCHEMBL3549063

SCHEMBL3549063

O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2ccccn2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.56
SPR P35270 1/20 0.54
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
NAMPT P43490 1/20 0.47
KDM5A P29375 2/20 0.46
USP30 Q70CQ3 1/20 0.44
SCD5 Q86SK9 2/20 0.43
DRD4 P21917 2/20 0.40
PROKR1 Q8TCW9 1/20 0.40
TP53 P04637 2/20 0.38
MDM2 Q00987 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL3549643 0.92 HCRTR1 (0.54) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3549187 0.90 SPR (0.47) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3551014 0.90 NAMPT (0.58) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3552843 0.90 HCRTR1 (0.51) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3546542 0.90 SPR (0.54) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3546304 0.86 SPR (0.54) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL3545834 0.86 RAB9A (0.52) HSD11B1SPRHCRTR1HCRTR2SCD5
SCHEMBL3553683 0.83 HSD11B1 (0.53) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL13501689 0.82 HSD11B1 (0.57) HSD11B1SPRHCRTR1HCRTR2NAMPT
SCHEMBL13501728 0.82 HSD11B1 (0.57) 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 256/4885HCRTR1 314/4885

“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.