SCHEMBL3591840

SCHEMBL3591840

O=C1CCN([C@@H]2CCCc3ccccc32)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.71
OPRM1 P35372 6/20 0.60
OPRK1 P41145 6/20 0.60
OPRL1 P41146 6/20 0.60
OPRD1 P41143 3/20 0.54
HTR2C P28335 3/20 0.51
TAAR1 Q96RJ0 1/20 0.49
DRD3 P35462 2/20 0.47
HTR1A P08908 1/20 0.47
GPR84 Q9NQS5 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
MAOB P27338 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL7534947 1.00 CHRNA7 (0.71) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL3591843 1.00 CHRNA7 (0.71) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL7878453 0.90 CHRNA7 (0.65) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL30077049 0.90 CHRNA7 (0.65) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL7878773 0.90 CHRNA7 (0.65) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL30077103 0.90 CHRNA7 (0.65) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL7878455 0.90 CHRNA7 (0.65) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL20137193 0.86 CHRNA7 (0.80) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL5899579 0.86 CHRNA7 (0.80) CHRNA7OPRM1OPRK1OPRL1OPRD1
SCHEMBL10544549 0.85 CHRNA7 (0.67) CHRNA7OPRM1OPRK1OPRL1TAAR1

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 10 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
EP-0963987-B1 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
EP-0856514-B1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives HOFFMANN LA ROCHE (CH) 2001-06-13 EP disclosed
US-6075034-A Spiro[piperidine-4,1'-pyrrolo [3,4-C] pyrrole]derivatives HOFFMANN-LA ROCHE INC. (US) 2000-06-13 US disclosed
US-6071925-A ANTIDEPRESSANTS, ANTICONVULSANTS OR ANTIANXIETY AGENTS, ALSO FOR TREATMENT OF MEMORY LOSS IN ALZHEIMER'S DISEASE HOFFMANN-LA ROCHE INC. (US) 2000-06-06 US disclosed
EP-0963987-A2 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
EP-0856514-A1 8-substituted-1,3,8-triazaspiro[4.5]decan-4-on derivatives F. HOFFMANN-LA ROCHE AG (CH) 1998-08-05 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 CHRNA7 1090/4885OPRM1 55/4885OPRK1 133/4885

“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.