SCHEMBL5962828

SCHEMBL5962828

CN1CCC2(CC1)C(=O)NCN2c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.68
OPRM1 P35372 8/20 0.67
OPRL1 P41146 8/20 0.67
OPRD1 P41143 7/20 0.67
OPRK1 P41145 7/20 0.67
SLC6A9 P48067 1/20 0.64

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
SCHEMBL5459394 0.87 OPRM1 (0.57) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL22605436 0.85 HSD17B10 (0.68) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL12490707 0.85 HSD17B10 (0.68) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL6402803 0.84 OPRM1 (0.74) OPRM1OPRL1OPRD1OPRK1SLC6A9
SCHEMBL9912156 0.84 OPRL1 (0.74) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL5962569 0.84 SLC6A9 (0.73) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL5962890 0.84 OPRM1 (0.79) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL21688403 0.84 HSD17B10 (0.63) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL5781495 0.84 HSD17B10 (0.67) HSD17B10OPRM1OPRL1OPRD1OPRK1
SCHEMBL21634299 0.83 HSD17B10 (0.62) HSD17B10OPRM1OPRL1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 US disclosed
EP-3250209-B1 COMT INHIBITING METHODS AND COMPOSITIONS LIEBER INST FOR BRAIN DEVELOPMENT (US) 2023-09-13 EP disclosed
WO-2023118319-A1 RIFABUTIN ANALOGS FOR THE TREATMENT OF DISEASE BioVersys AG (CH) 2023-06-29 WO disclosed
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION 2022-04-28 US disclosed
US-11084847-B2 Polyamide compound and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-08-10 US disclosed
US-11033629-B2 Oral formulations of kappa opioid receptor agonists CARA THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-10913769-B2 Synthetic peptide amides and dimers thereof CARA THERAPEUTICS, INC. (US) 2021-02-09 US disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-20200163336-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-05-28 US disclosed
WO-2020056249-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS, INC. (US) 2020-03-19 WO disclosed
US-7186709-B2 Subjecting a vinyl ethers and an unsaturated ketoester to suitable conditions to generate a scaffold having the core dihydropyrancarboxamide or dihydropyrancarboxylic ester or acid; anticarcinogenic agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-03-06 US disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-7166586-B2 Sulfonamide lactam inhibitors of FXa and method BRISTOL MYERS SQUIBB CO. (US) 2007-01-23 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
US-20070010531-A1 Substituted pyrazole compounds MERCK PATENT GMBH (DE) 2007-01-11 US disclosed
WO-2005060981-A2 PHARMACEUTICAL COMPOSITIONS SCHERING CORPORATION (US) 2005-07-07 WO disclosed
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 US disclosed
WO-2003032996-A1 IMIDAZO (4,3-E)-1,2,4-TRIAZOLO(1,5-C) PYRIMIDINES AS ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-04-24 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 (10 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-11084847-B2 Polyamide compound and use thereof OPRK1, OPRM1, OPRD1 HSD17B10 2296/4885OPRM1 2/4885OPRL1 4/4885
US-20070010531-A1 Substituted pyrazole compounds HTR3A, HTR1A, HTR1D HSD17B10 3097/4885OPRM1 28/4885OPRL1 31/4885
US-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR HSD17B10 2944/4885OPRM1 5/4885OPRL1 2/4885
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 HSD17B10 1463/4885OPRM1 98/4885OPRL1 65/4885
US-10913769-B2 Synthetic peptide amides and dimers thereof OPRK1, OPRL1, OPRM1 HSD17B10 883/4885OPRM1 3/4885OPRL1 2/4885
US-20220125781-A1 Methods and Compositions for Treating Vasomotor Symptoms VASP, PDE3A, PDE2A HSD17B10 1091/4885OPRM1 814/4885OPRL1 815/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR HSD17B10 3340/4885OPRM1 724/4885OPRL1 88/4885
US-20200163336-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-10, TAAR1, C5 HSD17B10 1754/4885OPRM1 2078/4885OPRL1 2634/4885
US-11033629-B2 Oral formulations of kappa opioid receptor agonists OPRK1, OPRL1, OGFR HSD17B10 2944/4885OPRM1 5/4885OPRL1 2/4885
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders ADORA2A, ADORA3, ADORA2B HSD17B10 4596/4885OPRM1 249/4885OPRL1 463/4885

“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.