SCHEMBL307547

SCHEMBL307547

CC(=O)c1ccc(CC#N)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
MAOB P27338 4/20 0.46
PKM P14618 1/20 0.41
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 2/20 0.40
TSPO P30536 1/20 0.40
DRD3 P35462 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.37
GAA P10253 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL11812730 0.83 EPHX2 (0.40) MAPTMAOBPKMFFAR1FFAR4
SCHEMBL2334086 0.83 DPP4 (0.46) MAPTL3MBTL1ALDH1A1HTTGAA
SCHEMBL6180535 0.80 MAOB (0.51) MAPTMAOBPKML3MBTL1ALDH1A1
SCHEMBL24329491 0.79 PKM (0.59) MAPTMAOBPKML3MBTL1ALDH1A1
SCHEMBL11552891 0.78 PKM (0.64) MAPTPKMALDH1A1HTTGAA
SCHEMBL31387892 0.76 MAOB (0.48) MAOBPKML3MBTL1ALDH1A1
SCHEMBL22491940 0.76 MAOB (0.48) MAOBPKML3MBTL1ALDH1A1
SCHEMBL18290649 0.75 MAOB (0.47) MAPTMAOBPKML3MBTL1ALDH1A1
SCHEMBL335266 0.74 ALDH1A1 (0.61) MAPTL3MBTL1ALDH1A1HTTGAA
SCHEMBL1953476 0.74 CYP11B2 (0.60) MAPTCYP11B1CYP11B2

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
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 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 (2 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA MAPT 3231/4885MAOB 1868/4885PKM 859/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA MAPT 3251/4885MAOB 1402/4885PKM 895/4885

“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.