SCHEMBL3587101

SCHEMBL3587101

Cc1cccc2c1CCCC2N1CCC(Nc2ccccc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
OPRM1 P35372 5/20 0.45
OPRK1 P41145 5/20 0.45
OPRL1 P41146 5/20 0.45
OPRD1 P41143 3/20 0.45
SIGMAR1 Q99720 1/20 0.41
CHRNA7 P36544 1/20 0.36
IDO1 P14902 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL3587098 1.00 KDM4E (0.47) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL3582606 0.83 CHRNA7 (0.52) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL3582603 0.83 CHRNA7 (0.52) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL3590742 0.75 OPRL1 (0.45) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL2247469 0.74 OPRL1 (0.48) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL2240983 0.74 OPRL1 (0.48) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL3589716 0.72 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1SIGMAR1
SCHEMBL3589719 0.72 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1SIGMAR1
SCHEMBL852361 0.71 KDM4E (0.71) KDM4EGAAMAPTOPRM1OPRK1
SCHEMBL3582920 0.70 KDM4E (0.41) KDM4EGAAMAPTOPRM1OPRK1

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-2128154-B1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-04-08 EP disclosed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
EP-2128154-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2009-12-02 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-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF ORMDL3, OXA1L, OGFRL1 KDM4E 3547/4885GAA 1072/4885MAPT 2170/4885

“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.