SCHEMBL13319282

SCHEMBL13319282

CSc1nc2cc(F)ccc2n1C1CCN(C(=O)C2CCN(Cc3ccnnc3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.51
▸ MAPT P10636 1/20 0.44
▸ CYP2D6 P10635 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL13319354 0.91 CYP3A4 (0.48) CYP3A4CYP2D6
SCHEMBL13319460 0.91 CYP3A4 (0.49) CYP3A4MAPTCYP2D6MAPK1SMN1; SMN2
SCHEMBL13319429 0.90 CYP3A4 (0.49) CYP3A4CYP2D6
SCHEMBL13319324 0.90 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL13319364 0.90 CYP3A4 (0.46) CYP3A4MAPTCYP2D6SMN1; SMN2
SCHEMBL13319399 0.88 CYP3A4 (0.46) CYP3A4CYP2D6
SCHEMBL14469319 0.88 CYP3A4 (0.68) CYP3A4
SCHEMBL13319280 0.87 HRH3 (0.48) CYP3A4CYP2D6MAPK1SMN1; SMN2
SCHEMBL13319367 0.87 CYP3A4 (0.51) CYP3A4CYP2D6MAPK1SMN1; SMN2
SCHEMBL14469157 0.87 CYP3A4 (0.53) CYP3A4MAPTMAPK1SMN1; SMN2

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 4 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
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 CYP3A4 339/4885MAPT 4670/4885CYP2D6 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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