SCHEMBL9837438

SCHEMBL9837438

O=C1Cc2ccccc2N1C1CCC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.75
OPRK1 P41145 14/20 0.75
OPRL1 P41146 14/20 0.75
CHRNB4 P30926 1/20 0.75
CHRNA3 P32297 1/20 0.75

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
SCHEMBL28667548 0.96 OPRM1 (0.80) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL2554375 0.93 OPRM1 (0.69) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL30455750 0.86 OPRM1 (1.00) OPRM1OPRK1OPRL1
SCHEMBL8038486 0.86 CHRNB4 (1.00) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL15794608 0.86 OPRM1 (1.00) OPRM1OPRK1OPRL1
SCHEMBL19410694 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL30364082 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL5427154 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL828730 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL19691160 0.85 OPRM1 (0.61) OPRM1OPRK1OPRL1CHRNB4CHRNA3

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
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-8173699-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-08 US disclosed
US-20100190767-A1 Compounds for the treatment of inflammatory diseases ANDERSKEWITZ RALF 2010-07-29 US disclosed
US-20100190767-A1 Compounds for the treatment of inflammatory diseases ANDERSKEWITZ RALF 2010-07-29 US disclosed
US-7723381-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
US-7723381-B2 Compounds for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-25 US disclosed
EP-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 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-20100190767-A1 Compounds for the treatment of inflammatory diseases MALT1, IL1B, RORC OPRM1 266/4885OPRK1 105/4885OPRL1 115/4885

“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.