SCHEMBL3554472

SCHEMBL3554472

O=C(c1cnoc1-c1ccc([N+](=O)[O-])cc1)N1CCC(c2ccncc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
SPR P35270 1/20 0.42
NAMPT P43490 1/20 0.42
SCD5 Q86SK9 3/20 0.39
HSD11B1 P28845 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCD O00767 2/20 0.38
SLC18A3 Q16572 1/20 0.38
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36
CPT2 P23786 1/20 0.36
CPT1A P50416 1/20 0.36

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
SCHEMBL3543025 0.91 HCRTR1 (0.49) HCRTR1HCRTR2SCD5RAB9ANPC1
SCHEMBL3553683 0.86 HSD11B1 (0.53) HCRTR1HCRTR2SPRNAMPTSCD5
SCHEMBL3546175 0.86 NAMPT (0.56) HCRTR1HCRTR2SPRNAMPTSCD5
SCHEMBL3553605 0.86 HCRTR1 (0.48) HCRTR1HCRTR2SPRNAMPTSCD5
SCHEMBL3546776 0.86 SPR (0.44) HCRTR1HCRTR2SPRNAMPTSCD5
SCHEMBL3547361 0.86 HCRTR1 (0.55) HCRTR1HCRTR2SPRSCD5RAB9A
SCHEMBL3546907 0.84 NAMPT (0.45) HCRTR1HCRTR2SPRNAMPTSCD5
SCHEMBL3544117 0.81 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL3554777 0.79 HCRTR1 (0.52) HCRTR1HCRTR2SCD5RAB9ANPC1
SCHEMBL3542458 0.79 SCD5 (0.60) HCRTR1HCRTR2SCD5RAB9ANPC1

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 4 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-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 HCRTR1 314/4885HCRTR2 531/4885SPR 256/4885

“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.