SCHEMBL309345

SCHEMBL309345

CC(N)c1ccc(C2CCCC(C#N)C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
APP P05067 1/20 0.32
CNR2 P34972 4/20 0.31
ALDH1A1 P00352 1/20 0.31
NAAA Q02083 1/20 0.30
DPP4 P27487 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL306871 0.86 ADRB2 (0.38) ADRB2
SCHEMBL11744256 0.80 ADRB2 (0.40) ADRB2APPCNR2ALDH1A1NAAA
SCHEMBL10177648 0.80 ALDH1A1 (0.37) CNR2ALDH1A1FFAR4
SCHEMBL4363946 0.77 ALDH1A1 (0.46) ADRB2APPALDH1A1NAAA
SCHEMBL10177639 0.76 CUL4A (0.37) CNR2DPP4FFAR4
SCHEMBL10177645 0.76 HTR3A (0.43) FFAR4
SCHEMBL1399510 0.76 AKR1C3 (0.41)
SCHEMBL10177633 0.76 AKR1C3 (0.41)
SCHEMBL10177636 0.76 AKR1C3 (0.41)
SCHEMBL10177643 0.76 GAA (0.42) ALDH1A1

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 5 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
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 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 (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 ADRB2 310/4885APP 4871/4885CNR2 632/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA ADRB2 272/4885APP 4873/4885CNR2 849/4885

“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.