SCHEMBL13319364

SCHEMBL13319364

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.46
▸ USP2 O75604 4/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CYP2D6 P10635 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CHRM4 P08173 1/20 0.41

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
SCHEMBL13319380 0.92 USP2 (0.46) CYP3A4USP2SMN1; SMN2PKMCYP2D6
SCHEMBL13319282 0.90 CYP3A4 (0.51) CYP3A4SMN1; SMN2CYP2D6MAPT
SCHEMBL13319324 0.88 CYP3A4 (0.47) CYP3A4CYP2D6
SCHEMBL13319429 0.88 CYP3A4 (0.49) CYP3A4CYP2D6
SCHEMBL13319370 0.88 HRH3 (0.46) CYP3A4USP2SMN1; SMN2PKMCYP2D6
SCHEMBL13319357 0.88 USP2 (0.45) CYP3A4USP2SMN1; SMN2PKMMAPT
SCHEMBL13319354 0.87 CYP3A4 (0.48) CYP3A4CYP2D6
SCHEMBL14095222 0.86 USP2 (0.37) CYP3A4USP2SMN1; SMN2PKMCYP2D6
SCHEMBL13319342 0.86 USP2 (0.47) CYP3A4USP2SMN1; SMN2PKMMAPT
SCHEMBL13319399 0.86 CYP3A4 (0.46) CYP3A4CYP2D6

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 339/4885USP2 4783/4885SMN1; SMN2 1534/4885

“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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