SCHEMBL13319280

SCHEMBL13319280

CSc1nc2cc(F)ccc2n1C1CCN(C(=O)C2(F)CCN(Cc3ccnnc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.48
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PKM P14618 1/20 0.39

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
SCHEMBL13319427 0.92 HRH3 (0.43) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL13319372 0.92 HRH3 (0.44) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL13319370 0.90 HRH3 (0.46) HRH3CYP3A4CYP2D6SMN1; SMN2CYP2C9
SCHEMBL14469156 0.88 HRH3 (0.50) HRH3CYP3A4CYP2D6SMN1; SMN2MAPK1
SCHEMBL13319282 0.87 CYP3A4 (0.51) CYP3A4CYP2D6SMN1; SMN2MAPK1
SCHEMBL13319432 0.86 HRH3 (0.42) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL13319437 0.86 HRH3 (0.49) HRH3CYP3A4CYP2D6SMN1; SMN2MAPK1
SCHEMBL13319449 0.85 HRH3 (0.43) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL13319275 0.84 HRH3 (0.48) HRH3CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL13319206 0.84 HRH3 (0.49) HRH3CYP3A4CYP2D6CYP2C9

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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
US-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-06-10 — — US disclosed
WO-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — 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-20100144591-A1 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GK, GCK HRH3 3101/4885CYP3A4 339/4885CYP2D6 293/4885

“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.

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