SCHEMBL3548997

SCHEMBL3548997

COc1ccc(CC2CCN(C(=O)c3cnoc3-c3ccccc3Cl)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MAPK14 Q16539 2/20 0.45
HTR2B P41595 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
SPR P35270 2/20 0.42
CHRM2 P08172 2/20 0.41
CCR5 P51681 1/20 0.41
PKM P14618 1/20 0.41
CCR3 P51677 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
LMNA P02545 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
SCHEMBL3543732 0.90 CYP2C9 (0.47) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL3545644 0.90 CYP2C9 (0.49) CYP2C9CYP2C19MAPK14HTR2BMEN1
SCHEMBL13501695 0.90 CYP2C9 (0.56) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL3550041 0.88 MAPK14 (0.47) CYP2C9CYP2C19MAPK14HTR2BMEN1
SCHEMBL3546933 0.86 CYP2C9 (0.45) CYP2C9CYP2C19MAPK14HTR2BMEN1
SCHEMBL3550764 0.85 SCD5 (0.52) ALDH1A1RAB9ANPC1LMNA
SCHEMBL3550583 0.84 CYP2C9 (0.43) CYP2C9CYP2C19MAPK14HTR2BMEN1
SCHEMBL13501698 0.84 CYP2C9 (0.65) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2
SCHEMBL3542653 0.83 ALDH1A1 (0.46) CYP2C9CYP2C19MAPK14SMN1; SMN2MEN1
SCHEMBL13501696 0.77 SPR (0.52) CYP2C9CYP2C19MAPK14HTR2BSMN1; SMN2

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

“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.