SCHEMBL8324812

SCHEMBL8324812

CC(=O)C1(c2ccccc2)CCN(C)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.63
OPRD1 P41143 3/20 0.63
OPRK1 P41145 2/20 0.63
SLC22A1 O15245 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
KCNH2 Q12809 1/20 0.63
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
CHRM1 P11229 1/20 0.50
HSD11B1 P28845 2/20 0.49
DRD4 P21917 1/20 0.49

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
SCHEMBL28765681 0.87 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL3046108 0.87 OPRM1 (0.65) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL3396780 0.86 OPRM1 (0.66) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL890180 0.85 AKR1C1 (0.57) OPRM1OPRD1CA12CA1CA2
SCHEMBL4917642 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12227090 0.84 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2636624 0.84 CA12 (0.59) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13774957 0.84 CA12 (0.59) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL15765668 0.83 OPRM1 (0.63) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL12104025 0.83 OPRM1 (0.63) OPRM1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
US-10479790-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2019-11-19 US disclosed
US-10035799-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE FOR BRAIN DEVELOPMENT (US) 2018-07-31 US disclosed
EP-3092229-B1 PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-28 EP disclosed
US-20160222011-A1 COMT Inhibiting Methods and Compositions LIEBER INSTITUTE, INC. 2016-08-04 US disclosed
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations GRUENENTHAL GMBH (DE) 2014-06-26 US disclosed
US-8710233-B2 Vanilloid receptor ligands and use thereof for the production of pharmaceutical preparations GRUENENTHAL GMBH (DE) 2014-04-29 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-8569267-B2 Tetracyclic tetrahydrofuran derivatives containing cyclic amine side chain JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-RE44205-E1 Adenosine A2a receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-05-07 US disclosed
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF SANOFI-AVENTIS (FR) 2007-12-20 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-7282516-B2 4-cyanopyrazole-3-carboxamide derivatives, preparation, and application thereof SANOFI-AVENTIS (FR) 2007-10-16 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2007-06-28 US disclosed
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS GRUENENTHAL GMBH (DE) 2007-05-10 US disclosed
US-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors MERCK SHARP & DOHME CORP. 2007-05-10 US disclosed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-02-22 US disclosed
WO-2004069256-A1 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2004-08-19 WO 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 (9 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-20070105902-A1 4-Phenyl piperdine sulfonyl glycine transporter inhibitors SLC1A2, SLC1A1, SLC1A3 OPRM1 689/4885OPRD1 712/4885OPRK1 747/4885
US-20070105861-A1 NOVEL VANILLOID RECEPTOR LIGANDS AND USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS TRPV1, TRPV5, TRPV2 OPRM1 137/4885OPRD1 97/4885OPRK1 71/4885
US-20140179686-A1 Novel Vanilloid Receptor Ligands and Use Thereof for the Production of Pharmaceutical Preparations TRPV1, TRPV5, TRPV2 OPRM1 137/4885OPRD1 97/4885OPRK1 71/4885
US-10035799-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA OPRM1 26/4885OPRD1 64/4885OPRK1 12/4885
US-20160222011-A1 COMT Inhibiting Methods and Compositions COMT, SLC6A3, MAOA OPRM1 26/4885OPRD1 64/4885OPRK1 12/4885
US-20070293541-A1 4-CYANOPYRAZOLE-3-CARBOXAMIDE DERIVATIVES, PREPARATION AND APPLICATION THEREOF CBR3, CNR1, CNR2 OPRM1 1362/4885OPRD1 688/4885OPRK1 520/4885
US-20070149596-A1 PYRROLE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE PYCR1, PRMT9, PRLHR OPRM1 977/4885OPRD1 186/4885OPRK1 331/4885
US-20070043060-A1 OXAZOLE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF OXA1L, ARG2, CYP3A7 OPRM1 290/4885OPRD1 194/4885OPRK1 239/4885
US-10479790-B2 COMT inhibiting methods and compositions COMT, SLC6A3, MAOA OPRM1 26/4885OPRD1 64/4885OPRK1 12/4885

“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.