SCHEMBL42581

SCHEMBL42581

OC1(c2ccccc2)CC[N]CC1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.52
OPRM1 P35372 11/20 0.52
OPRK1 P41145 11/20 0.52
OPRD1 P41143 9/20 0.47
POLB P06746 1/20 0.46
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4277748 0.87 OPRL1 (0.44) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL10060840 0.83 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL7815717 0.83 OPRL1 (0.68) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL11188082 0.79 OPRL1 (0.42) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL3876399 0.78 OPRM1 (0.50) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3126817 0.78 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL3640272 0.78 OPRM1 (0.46) OPRL1OPRM1OPRK1OPRD1
SCHEMBL216848 0.78 DRD2 (0.60) OPRL1OPRM1OPRK1OPRD1
SCHEMBL1724862 0.78 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB
SCHEMBL1109741 0.78 OPRL1 (0.57) OPRL1OPRM1OPRK1OPRD1POLB

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 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111362933-A α -amino acrylic acid microbicide and preparation method and application thereof 南开大学 2020-07-03 CN claimed
US-7939534-B2 e.g. (2-{[2-(3-fluorophenyl)ethyl]amino}-6-piperidyl(3-pyridyl))-N-(3-pyridylmethyl)carboxamide; smooth muscle myosin or non-muscle myosin modulator; hypotensive agent; asthma, chronic obstructive pulmonary disease, bronchoconstrictive disease, glaucoma, pre-menstrual cramps, erectile dysfunction CYTOKINETICS, INC. (US) 2011-05-10 US claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-7576217-B2 Quinolines as allosteric enhancers of the GABAB receptors HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US claimed
US-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US claimed
US-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. 2009-03-05 US claimed
US-20080139575-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2008-06-12 US claimed
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-05-04 US claimed
US-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
EP-0178946-A2 1-(Aminoalkyl)-alpha, alpha-diaryl pyrrolidine-piperidine- and homopiperidine- acetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
EP-0178947-A2 1-[(Aminoalkyl and aminoalkylamino)carbonyl and thiocarbonyl]-alpha,alpha-diarylpyrrolidine, piperidine and homopiperidineacetamides and acetonitriles A.H. ROBINS COMPANY, INCORPORATED (US) 1986-04-23 EP claimed
US-4558155-A N-(Aryloxyalkyl)-N'-(aminoalkyl)thioureas A. H. ROBINS COMPANY, INCORPORATED (US) 1985-12-10 US claimed
EP-0160436-A2 N-[(Amino)Alkyl]-1-pyrrolidine, 1-piperidine and 1-homopiperidinecarboxamides (and thiocarboxamides) with sulphur linked substitution in the 2, 3 or 4-position A.H. ROBINS COMPANY, INCORPORATED (US) 1985-11-06 EP claimed
US-4500529-A ANTIARRHYTHMIA AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1985-02-19 US claimed
US-4171361-A HYPOTENSIVE ELI LILLY AND COMPANY (US) 1979-10-16 US claimed
US-4110536-A ANTIARRHYTHMIA MILES LABORATORIES, INC. (US) 1978-08-29 US claimed
US-4045442-A ANTIINFLAMMATORY, ANTIDIARRHEA G. D. SEARLE & CO. (US) 1977-08-30 US claimed
US-4017491-A 1,1-Diaryl-1H-tetrazole amines G. D. SEARLE & CO. (US) 1977-04-12 US claimed
US-4006232-A Therapeutic method of treating cardiac arrhythmias utilizing 3-substituted diphenylhydantoins MILES LABORATORIES, INC. (US) 1977-02-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080139575-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 OPRL1 2444/4885OPRM1 1013/4885OPRK1 2189/4885
US-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions PDE7A, CHRM3, PDE4B OPRL1 1161/4885OPRM1 200/4885OPRK1 376/4885
US-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 OPRL1 1195/4885OPRM1 670/4885OPRK1 494/4885
US-20060094754-A1 Quinolines as allosteric enhancers of the GABAB receptors GABRB1, GABRB2, GABRA1 OPRL1 71/4885OPRM1 181/4885OPRK1 82/4885
US-20090062277-A1 PHOSPHODIESTERASE 10 INHIBITORS PDE5A, PDE12, PDE10A OPRL1 1140/4885OPRM1 2663/4885OPRK1 827/4885

“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.