SCHEMBL2646987

SCHEMBL2646987

O=C(C1CCCN1)N1[CH]CCCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.46
DPP8 Q6V1X1 5/20 0.46
DPP9 Q86TI2 4/20 0.46
FAP Q12884 1/20 0.45
DPP7 Q9UHL4 1/20 0.45
PARP1 P09874 2/20 0.38
ANPEP P15144 1/20 0.37
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35

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
SCHEMBL2646242 0.95 DPP4 (0.47) DPP4DPP8DPP9FAPDPP7
SCHEMBL488953 0.74 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL488954 0.74 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL1383434 0.74 DPP4 (0.64) DPP4DPP8DPP9FAPDPP7
SCHEMBL10326191 0.73 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL3331450 0.73 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL14548972 0.73 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7
SCHEMBL2644964 0.73 TSHR (0.47)
SCHEMBL18228451 0.73 HPGD (0.52)
SCHEMBL3335449 0.73 DPP4 (0.62) DPP4DPP8DPP9FAPDPP7

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
EP-1702919-B1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE MSD KK (JP) 2012-05-30 EP disclosed
US-7728025-B2 2-heteroaryl-substituted benzimidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-06-01 US disclosed
US-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1702919-A1 NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-09-20 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-20080070928-A1 Novel 2-Heteroaryl-Substituted Benzimidazole Derivative GCK, GCKR, HK1 DPP4 91/4885DPP8 64/4885DPP9 558/4885

“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.