SCHEMBL3549643

SCHEMBL3549643

O=C(c1cnoc1-c1ccccc1)N1CCC(c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.54
HCRTR2 O43614 2/20 0.54
SPR P35270 1/20 0.50
KDM5A P29375 2/20 0.48
SCD5 Q86SK9 5/20 0.48
NAMPT P43490 1/20 0.47
USP30 Q70CQ3 1/20 0.47
HSD11B1 P28845 1/20 0.47
MAP3K12 Q12852 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
GRM5 P41594 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
SCHEMBL3551014 0.92 NAMPT (0.58) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3549063 0.92 HSD11B1 (0.56) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3552843 0.92 HCRTR1 (0.51) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3549187 0.92 SPR (0.47) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3546542 0.89 SPR (0.54) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3546304 0.86 SPR (0.54) HCRTR1HCRTR2SPRKDM5ASCD5
SCHEMBL3542458 0.85 SCD5 (0.60) HCRTR1HCRTR2SCD5TP53
SCHEMBL3547361 0.84 HCRTR1 (0.55) HCRTR1HCRTR2SPRSCD5
SCHEMBL3551569 0.82 HCRTR1 (0.53) HCRTR1HCRTR2SPRSCD5NAMPT
SCHEMBL13501692 0.82 HCRTR1 (0.53) HCRTR1HCRTR2SPRSCD5NAMPT

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 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.