SCHEMBL11922712

SCHEMBL11922712

CCCCCNCc1cccc(C#N)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN8A Q9UQD0 2/20 0.64
▸ CYP1A2 P05177 3/20 0.60
▸ CYP2D6 P10635 3/20 0.60
▸ CYP2C19 P33261 3/20 0.60
▸ HRH4 Q9H3N8 1/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ NOS1 P29475 2/20 0.49
▸ CHRM2 P08172 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45
▸ MAOA P21397 1/20 0.43

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
SCHEMBL3266433 0.95 SCN8A (0.65) SCN8ACYP1A2CYP2D6CYP2C19HRH4
SCHEMBL10874778 0.83 SCN8A (0.61) SCN8ANOS1CHRM2DPP7MAOA
SCHEMBL409441 0.82 SCN8A (0.56) SCN8ACYP1A2CYP2D6CYP2C19HRH3
SCHEMBL9257479 0.82 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL15859362 0.82 CYP1A2 (0.76) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL410123 0.80 SCN8A (0.57) SCN8ANOS1DPP7MAOA
SCHEMBL16264592 0.79 CYP1A2 (0.71) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL16264662 0.79 CYP1A2 (0.71) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL16264624 0.79 CYP1A2 (0.71) CYP1A2CYP2D6CYP2C19HRH4HRH3
SCHEMBL921919 0.79 TSHR (0.56) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 — — US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 — — US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 — — 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-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R SCN8A 1959/4885CYP1A2 659/4885CYP2D6 1098/4885

“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.

Send feedback