SCHEMBL3582923

SCHEMBL3582923

Nc1ccccc1NC1CCN(C2Cc3ccc(F)c4cccc2c34)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
OPRL1 P41146 16/20 0.36
OPRM1 P35372 15/20 0.36
OPRK1 P41145 11/20 0.36
OPRD1 P41143 5/20 0.34
NSD2 O96028 1/20 0.32
ROCK2 O75116 1/20 0.32
CCR2 P41597 1/20 0.32
ROCK1 Q13464 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
SCHEMBL3582920 1.00 KDM4E (0.41) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL2247469 0.83 OPRL1 (0.48) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL2240983 0.83 OPRL1 (0.48) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL3582603 0.74 CHRNA7 (0.52) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL3582606 0.74 CHRNA7 (0.52) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL3595175 0.72 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3595173 0.72 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3587101 0.70 KDM4E (0.47) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL3587098 0.70 KDM4E (0.47) KDM4EGAAMAPTOPRL1OPRM1
SCHEMBL3590742 0.68 OPRL1 (0.45) KDM4EGAAMAPTOPRL1OPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086958-B1 SUBSTITUTED-QUINOXALINE-TYPE-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2015-01-14 EP claimed
US-8877779-B2 Benzimidazole compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-11-04 US disclosed
CN-101622241-B Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2013-05-22 CN disclosed
US-20100120841-A1 BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-05-13 US disclosed
CN-101622241-A Benzimidazole compound and medical application thereof MITSUBISHI TANABE PHARMA CORP 2010-01-06 CN 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.