SCHEMBL5512680

SCHEMBL5512680

C1CCC(CN(CC2CCCCC2)CC2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
OPRM1 P35372 8/20 0.40
OPRD1 P41143 8/20 0.40
OPRK1 P41145 8/20 0.40
CHRM5 P08912 2/20 0.38
ADRA1B P35368 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL12018411 0.83 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL4675824 0.83 ALOX5 (0.40) ALOX5OPRM1OPRD1OPRK1CHRM5
SCHEMBL20900599 0.83 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL16559079 0.83 CYP1A2 (0.42) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL130374 0.83 ALOX5 (0.36) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL9016981 0.81 ALOX5 (0.39) ALOX5OPRM1OPRD1OPRK1CHRM5
SCHEMBL9016983 0.81 ALOX5 (0.39) ALOX5OPRM1OPRD1OPRK1CHRM5
SCHEMBL20611465 0.79 OPRM1 (0.41) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL8040461 0.79 CYP1A2 (0.39) ALOX5OPRM1OPRD1OPRK1ADRA1B
SCHEMBL14593329 0.79 OPRM1 (0.45) ALOX5OPRM1OPRD1OPRK1CYP1A2

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-2975019-A1 RUTHENIUM CATALYZED HYDROAMINOMETHYLATION Evonik Degussa GmbH (DE) 2016-01-20 EP disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
US-7220884-B2 Hydroaminomethylation of olefins DOW GLOBAL TECHNOLOGIES, INC. (US) 2007-05-22 US disclosed
EP-1713757-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2006-10-25 EP disclosed
US-20050215825-A1 Hydroaminomethylation of olefins UNION CARBIDE CORPORATION 2005-09-29 US disclosed
WO-2005077884-A2 HYDROAMINOMETHYLATION OF OLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2005-08-25 WO disclosed
EP-0138750-B1 PROCESS FOR THE PRODUCTION OF SUBSTITUTED BENZIMIDAZOLES CIBA-GEIGY AG (CH) 1987-09-09 EP disclosed
EP-0138750-A1 Process for the production of substituted benzimidazoles CIBA-GEIGY AG (CH) 1985-04-24 EP disclosed
US-3947458-A RHODIUM CATALYST, REACTING NITROGEN COMPOUND, OLEFIN, CARBON MONOXIDE, WATER MONSANTO COMPANY (US) 1976-03-30 US 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-20050215825-A1 Hydroaminomethylation of olefins HRH2, HRH4, HRH1 ALOX5 73/4885OPRM1 33/4885OPRD1 155/4885

“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.