SCHEMBL3546304

SCHEMBL3546304

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.54
HSD11B1 P28845 4/20 0.48
KDM5A P29375 2/20 0.48
SCD5 Q86SK9 3/20 0.47
NAMPT P43490 1/20 0.42
USP30 Q70CQ3 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM5 P41594 2/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL3546223 0.90 SCD5 (0.46) SPRHSD11B1KDM5ASCD5NAMPT
SCHEMBL3549063 0.86 HSD11B1 (0.56) SPRHSD11B1KDM5ASCD5NAMPT
SCHEMBL3542867 0.86 SCD5 (0.63) SPRHSD11B1SCD5HCRTR1HCRTR2
SCHEMBL3549643 0.86 HCRTR1 (0.54) SPRHSD11B1KDM5ASCD5NAMPT
SCHEMBL3545291 0.86 SCD5 (0.50) HSD11B1KDM5ASCD5HCRTR1HCRTR2
SCHEMBL3550082 0.85 SCD5 (0.55) SPRHSD11B1SCD5HCRTR1HCRTR2
SCHEMBL3542433 0.84 SCD5 (0.56) SPRHSD11B1SCD5ALDH1A1
SCHEMBL3546542 0.84 SPR (0.54) SPRHSD11B1KDM5ASCD5NAMPT
SCHEMBL3543167 0.83 SPR (0.55) SPRHSD11B1SCD5NAMPTHCRTR1
SCHEMBL3551014 0.82 NAMPT (0.58) SPRHSD11B1KDM5ASCD5NAMPT

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 SPR 256/4885HSD11B1 2/4885KDM5A 1205/4885

“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.