SCHEMBL3546223

SCHEMBL3546223

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2cnccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.46
SPR P35270 2/20 0.43
NAMPT P43490 1/20 0.43
HSD11B1 P28845 5/20 0.42
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 1/20 0.41
KDM5A P29375 2/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
P2RX7 Q99572 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 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
SCHEMBL3546304 0.90 SPR (0.54) SCD5SPRNAMPTHSD11B1KDM5A
SCHEMBL3543167 0.86 SPR (0.55) SCD5SPRNAMPTHSD11B1HCRTR1
SCHEMBL3550082 0.85 SCD5 (0.55) SCD5SPRHSD11B1HCRTR1HCRTR2
SCHEMBL3542867 0.84 SCD5 (0.63) SCD5SPRHSD11B1HCRTR1HCRTR2
SCHEMBL3545291 0.84 SCD5 (0.50) SCD5HSD11B1KDM5AHCRTR1HCRTR2
SCHEMBL3542433 0.82 SCD5 (0.56) SCD5SPRHSD11B1ALDH1A1HTT
SCHEMBL3544586 0.81 SCD5 (0.54) SCD5SPRHSD11B1HCRTR1HCRTR2
SCHEMBL3544990 0.81 SCD5 (0.54) SCD5SPRHSD11B1HCRTR1HCRTR2
SCHEMBL3546278 0.81 NAMPT (0.48) SCD5NAMPTHSD11B1CYP2C9EPHX2
SCHEMBL13501697 0.80 SCD5 (0.54) SCD5SPRCYP2C9HCRTR1HCRTR2

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 9 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
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO 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 SCD5 1155/4885SPR 256/4885NAMPT 1170/4885

“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.