SCHEMBL6889828

SCHEMBL6889828

CC(C)C1(O)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL27408098 0.91 ALDH1A1 (0.31) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL23514937 0.85 OPRM1 (0.31) OPRM1OPRD1OPRK1OPRL1
SCHEMBL15801217 0.84
SCHEMBL24859609 0.84
SCHEMBL23108654 0.84
SCHEMBL13069945 0.79
SCHEMBL16885326 0.79
SCHEMBL130746 0.78
Hydrochloric Acid SCHEMBL1132327 0.77
SCHEMBL21030979 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS SINAI HEALTH SYSTEM (CA) 2024-06-27 US disclosed
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF SCHRÖDINGER, INC. 2024-01-25 US disclosed
US-11834433-B2 Compounds INFLAZOME LIMITED (IE) 2023-12-05 US disclosed
US-11834433-B2 Compounds INFLAZOME LIMITED (IE) 2023-12-05 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230322799-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2023-10-12 US disclosed
US-20230322799-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNITED STATES GOVERNMENT 2023-10-12 US disclosed
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-06-08 US disclosed
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS AMEN INC. (US) 2010-05-20 US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS TORAY INDUSTRIES, INC. (JP) 2009-11-05 US disclosed
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA TORAY INDUSTRIES, INC. (JP) 2009-10-08 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
US-7566724-B2 Glycine derivative and use thereof TORAY INDUSTRIES, INC. (JP) 2009-07-28 US disclosed
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS TORAY INDUSTRIES, INC. (JP) 2009-04-09 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 US disclosed
US-20080085910-A1 Glycine Derivative and Use Thereof TORAY INDUSTRIES, INC. (JP) 2008-04-10 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 (14 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 OPRM1 155/4885OPRD1 127/4885OPRK1 77/4885
US-20230183218-A1 CONDENSED SUBSTITUTED HYDROPYRROLES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM3, CHRM2, CHRM4 OPRM1 39/4885OPRD1 110/4885OPRK1 52/4885
US-20230322799-A1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM2 OPRM1 34/4885OPRD1 152/4885OPRK1 91/4885
US-20090093508-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR ALLERGIC DERMATITIS HRH2, TSLP, ENPEP OPRM1 4720/4885OPRD1 3403/4885OPRK1 3797/4885
US-20100125062-A1 PYRIDINE AND PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10 INHIBITORS PDE7A, PDE9A, PDE10A OPRM1 3915/4885OPRD1 1302/4885OPRK1 2198/4885
US-20080085910-A1 Glycine Derivative and Use Thereof GNMT, SI, SLC7A11 OPRM1 1985/4885OPRD1 861/4885OPRK1 1087/4885
US-20090275599-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR MULTIPLE SCLEROSIS PMP22, MGMT, ENPEP OPRM1 4300/4885OPRD1 3069/4885OPRK1 3147/4885
US-20240025898-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 OPRM1 4204/4885OPRD1 3526/4885OPRK1 678/4885
US-20090253724-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR LEUKEMIA MCL1, ENPEP, SLC7A1 OPRM1 4820/4885OPRD1 4333/4885OPRK1 4101/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 OPRM1 4580/4885OPRD1 4550/4885OPRK1 4361/4885
US-11834433-B2 Compounds NLRP3, NOD1, PYCARD OPRM1 1765/4885OPRD1 2214/4885OPRK1 1106/4885
US-20240207300-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS WEE2, WEE1, KAT2A OPRM1 3886/4885OPRD1 4108/4885OPRK1 3614/4885
US-20230174521-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 OPRM1 4517/4885OPRD1 4084/4885OPRK1 3940/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 OPRM1 91/4885OPRD1 146/4885OPRK1 84/4885

“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.