SCHEMBL13319437

SCHEMBL13319437

CCOc1nc2cc(F)ccc2n1C1CCN(C(=O)C2(F)CCN(Cc3ccnnc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 14/20 0.49
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CPT1A P50416 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL13319414 0.92 HRH3 (0.44) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL13319454 0.90 HRH3 (0.48) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL14469324 0.89 HRH3 (0.64) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL14469155 0.89 HRH3 (0.49) HRH3CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL8225254 0.88 CYP3A4 (0.52) CYP3A4
SCHEMBL13319280 0.86 HRH3 (0.48) HRH3CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL13319206 0.84 HRH3 (0.49) HRH3CYP3A4CYP2D6CYP2C9CPT1A
SCHEMBL13319252 0.83 HRH3 (0.48) HRH3CYP3A4CYP2D6CYP2C9SMN1; SMN2
SCHEMBL13319408 0.83 HRH3 (0.56) HRH3CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL13319457 0.83 HTT (0.41) CYP3A4SMN1; SMN2MAPK1ALDH1A1HTT

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
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-2008108958-A2 BENZIMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
EP-1499316-B1 (1-4-PIPERIDINYL)BENZIMIDAZOLE DERIVATIVES USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2008-03-19 — — EP 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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