SCHEMBL11922720

SCHEMBL11922720

CCCNCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SCN8A Q9UQD0 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
S1PR2 O95136 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
LPAR2 Q9HBW0 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 2/20 0.38
BCHE P06276 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL11122615 0.90 HRH4 (0.54) CHRM2HRH4HRH3SCN8ASMN1; SMN2
SCHEMBL11922784 0.88 HRH4 (0.62) CHRM2HRH4HRH3SCN8ASMN1; SMN2
SCHEMBL11123360 0.87 HRH4 (0.60) CHRM2HRH4HRH3SCN8ASMN1; SMN2
SCHEMBL9781345 0.83 CHRM2 (0.41) CHRM2HRH4HRH3SCN8ASMN1; SMN2
Hydrochloric Acid SCHEMBL8446857 0.83 SCN8A (0.57) CHRM2HRH4HRH3SCN8ACYP1A2
SCHEMBL25963537 0.83 L3MBTL1 (0.55) CHRM2SCN8AGAAKDM4ETDP1
SCHEMBL4030406 0.79 CHRM2 (0.70) CHRM2SCN8ALMNAGAAKDM4E
SCHEMBL3581800 0.79 BCHE (0.58) CHRM2SMN1; SMN2LMNAGAAKDM4E
SCHEMBL3586615 0.79 LTA4H (0.62) CHRM2CYP1A2CYP2D6CYP2C19LMNA
Hydrochloric Acid SCHEMBL31169751 0.78 CHRM2 (0.68) CHRM2SCN8ALMNAGAAKDM4E

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 CHRM2 377/4885HRH4 102/4885HRH3 147/4885

“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.