SCHEMBL3551014

SCHEMBL3551014

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.58
SPR P35270 1/20 0.47
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
KDM5A P29375 1/20 0.46
SCD5 Q86SK9 2/20 0.45
USP30 Q70CQ3 1/20 0.44
HSD11B1 P28845 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.43
ACKR3 P25106 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 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
SCHEMBL3549643 0.92 HCRTR1 (0.54) NAMPTSPRHCRTR1HCRTR2KDM5A
SCHEMBL3549063 0.90 HSD11B1 (0.56) NAMPTSPRHCRTR1HCRTR2KDM5A
SCHEMBL3552843 0.90 HCRTR1 (0.51) NAMPTSPRHCRTR1HCRTR2KDM5A
SCHEMBL3549187 0.90 SPR (0.47) NAMPTSPRHCRTR1HCRTR2KDM5A
SCHEMBL3552366 0.86 RAB9A (0.61) NAMPTHCRTR1HCRTR2SCD5NPC1
SCHEMBL3546542 0.84 SPR (0.54) NAMPTSPRHCRTR1HCRTR2KDM5A
SCHEMBL3546175 0.83 NAMPT (0.56) NAMPTSPRHCRTR1HCRTR2SCD5
SCHEMBL3549136 0.82 NAMPT (0.60) NAMPTSPRHCRTR1HCRTR2SCD5
SCHEMBL13501694 0.82 NAMPT (0.60) NAMPTSPRHCRTR1HCRTR2SCD5
SCHEMBL13501693 0.82 NAMPT (0.60) NAMPTSPRHCRTR1HCRTR2SCD5

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 NAMPT 1170/4885SPR 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.