SCHEMBL3550041

SCHEMBL3550041

O=C(c1cnoc1-c1ccccc1Cl)N1CCC(Cc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTR2B P41595 1/20 0.47
MLNR O43193 2/20 0.47
CYP3A4 P08684 2/20 0.47
SPR P35270 3/20 0.44
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
TACR3 P29371 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
SCHEMBL3545644 0.93 CYP2C9 (0.49) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL13501695 0.92 CYP2C9 (0.56) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL3543732 0.91 CYP2C9 (0.47) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL3546933 0.90 CYP2C9 (0.45) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL3548997 0.88 CYP2C9 (0.45) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL3550583 0.87 CYP2C9 (0.43) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL13501698 0.86 CYP2C9 (0.65) MAPK14CYP2C9CYP2C19HTR2BSPR
SCHEMBL3544586 0.84 SCD5 (0.54) SPRHSD11B1
SCHEMBL3549161 0.81 HCRTR1 (0.46) MAPK14MLNRCYP3A4
SCHEMBL13501696 0.79 SPR (0.52) MAPK14CYP2C9CYP2C19HTR2BSPR

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 MAPK14 1432/4885CYP2C9 80/4885CYP2C19 50/4885

“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.