SCHEMBL3546175

SCHEMBL3546175

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.56
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ATM Q13315 1/20 0.48
SPR P35270 1/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RORC P51449 4/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GRM5 P41594 1/20 0.41
CLPP Q16740 1/20 0.41
SCD5 Q86SK9 2/20 0.41
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL3552366 0.91 RAB9A (0.61) NAMPTNPC1RAB9AATMHCRTR1
SCHEMBL3546907 0.90 NAMPT (0.45) NAMPTSPRHCRTR1HCRTR2RORC
SCHEMBL3546776 0.90 SPR (0.44) NAMPTNPC1RAB9ASPRHCRTR1
SCHEMBL3553683 0.90 HSD11B1 (0.53) NAMPTNPC1RAB9ASPRHCRTR1
SCHEMBL3553605 0.90 HCRTR1 (0.48) NAMPTNPC1RAB9ASPRHCRTR1
SCHEMBL3547361 0.89 HCRTR1 (0.55) NPC1RAB9AATMSPRHCRTR1
SCHEMBL13501694 0.89 NAMPT (0.60) NAMPTNPC1RAB9AATMSPR
SCHEMBL3543644 0.89 NPC1 (0.46) NAMPTNPC1RAB9AATMHCRTR1
SCHEMBL3549136 0.89 NAMPT (0.60) NAMPTNPC1RAB9AATMSPR
SCHEMBL13501693 0.89 NAMPT (0.60) NAMPTNPC1RAB9AATMSPR

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 1170/4885NPC1 1594/4885RAB9A 2914/4885

“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.