SCHEMBL3555313

SCHEMBL3555313

Cc1ccc(-c2oncc2C(=O)N2CCCC(O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
DYRK3 O43781 1/20 0.44
ROCK2 O75116 1/20 0.44
RPS6KB1 P23443 1/20 0.44
CLK2 P49760 1/20 0.44
ROCK1 Q13464 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
CSNK1G1 Q9HCP0 1/20 0.44
STK17A Q9UEE5 1/20 0.44
KMT2A Q03164 1/20 0.43
RAB9A P51151 4/20 0.42
TP53 P04637 3/20 0.42
NPC1 O15118 3/20 0.42

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
SCHEMBL3546990 0.93 HCRTR1 (0.53) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL13501704 0.86 CYP46A1 (0.51) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL13502042 0.86 HCRTR1 (0.47) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3186687 0.85 ALDH1A1 (0.54) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3175324 0.85 HCRTR2 (0.46) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3541789 0.85 CRHBP (0.49) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3181421 0.85 HCRTR2 (0.46) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3181045 0.85 HCRTR2 (0.46) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3554777 0.84 HCRTR1 (0.52) HCRTR1HCRTR2SMN1; SMN2ALDH1A1TSHR
SCHEMBL3545704 0.82 HPGD (0.66) SMN1; SMN2ALDH1A1TSHRKMT2ARAB9A

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 HCRTR1 314/4885HCRTR2 531/4885SMN1; SMN2 3710/4885

“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.