SCHEMBL3887947

SCHEMBL3887947

CC#CCn1c(=O)n(C)c2nc(Cl)nc(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.45
TRPA1 O75762 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
FAP Q12884 3/20 0.36
CHRM1 P11229 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL13866842 0.78 DPP4 (0.61) DPP4FAP
SCHEMBL13866880 0.76 POLB (0.31) TRPA1
SCHEMBL13866816 0.76 HTT (0.43) CYP1A2CYP2C19RECQLHTT
SCHEMBL556689 0.75 CYP1A2 (0.62) DPP4CYP1A2CYP2C19RECQLHTT
SCHEMBL3883157 0.75 DPP4 (0.43) DPP4TRPA1CHRM1
SCHEMBL13866878 0.73 DPP4 (0.65) DPP4CHRM1
SCHEMBL3885845 0.72 DPP4 (0.32) DPP4
SCHEMBL13866879 0.71 DPP4 (0.48) DPP4CHRM1
SCHEMBL2962798 0.71
Trifluoroacetic Acid SCHEMBL3879690 0.71 DPP4 (0.52) DPP4FAP

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-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed
US-20060111362-A1 1,3-Dihydroimidazole ring compound EISAI CO., LTD. (JP) 2006-05-25 US disclosed
EP-1568699-A1 1,3-DIHYDROIMIDAZOLE FUSED-RING COMPOUND Eisai Co., Ltd. (JP) 2005-08-31 EP 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-20060111362-A1 1,3-Dihydroimidazole ring compound NR2C2, NR0B2, DPP4 DPP4 3/4885TRPA1 1092/4885CYP1A2 527/4885

“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.