SCHEMBL2984258

SCHEMBL2984258

Cc1ncc(Oc2ccc(C#N)cc2F)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.42
SLC22A12 Q96S37 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
TRPA1 O75762 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
CYP11B1 P15538 3/20 0.36
ICMT O60725 1/20 0.35
HAO1 Q9UJM8 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP11B2 P19099 2/20 0.34
ERBB2 P04626 1/20 0.34

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
SCHEMBL2995359 0.85 AR (0.42) ARSLC22A12ALDH1A1TRPA1CYP11B1
SCHEMBL2980615 0.77 GABRA5 (0.44) ARALDH1A1ALOX5APFEN1
SCHEMBL2995303 0.73 CA1 (0.39) ARSLC22A12ALDH1A1CYP11B1CYP11B2
SCHEMBL29581919 0.72 AR (0.46) ARSLC22A12ERBB2
SCHEMBL9710658 0.72 AR (0.42) ARSLC22A12ESR1TRPA1CYP11B1
SCHEMBL30689339 0.71 ALOX5AP (0.41) ARSLC22A12ICMTALOX5APFEN1
SCHEMBL923176 0.71 ERBB2 (0.53) ARCYP11B1ERBB2
SCHEMBL2989414 0.70 SLC6A4 (0.38) ARSLC22A12TRPA1CYP11B1CYP11B2
SCHEMBL18615407 0.70 AR (0.51) ARSLC22A12ALDH1A1GPR119
SCHEMBL31086467 0.69 SLC22A12 (0.41) ARSLC22A12GPR119CYP11B1ICMT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-8278442-B2 Bicyclic aryl and heteroaryl compounds for the treatment of metabolic disorders PROSIDION LIMITED (GB) 2012-10-02 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
US-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-07-08 US disclosed
EP-2152671-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2010-02-17 EP disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 WO 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-20100173886-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS OPRM1, OPRK1, OPRD1 AR 256/4885SLC22A12 828/4885ALDH1A1 891/4885

“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.