SCHEMBL656814

SCHEMBL656814

COc1ccc(CC(N)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.73
CYP1A2 P05177 1/20 0.68
CYP2D6 P10635 1/20 0.68
CYP2C19 P33261 1/20 0.68
LDHA P00338 1/20 0.57
IDO1 P14902 3/20 0.54
AGXT P21549 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
EPHX1 P07099 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
POLB P06746 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
SCHEMBL334385 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1586263 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL9633193 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL1586261 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL334384 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL16767542 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL13354941 0.90 SLC6A4 (0.66) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7253275 0.88 SLC6A4 (0.63) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL14534146 0.88 SLC6A4 (0.63) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL14534147 0.88 SLC6A4 (0.63) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462746-B2 Amino polyols and amino sugars UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2008-12-09 US claimed
EP-0923544-B1 METHOD FOR THE SYNTHESIS OF AMINES AND AMINO ACIDS WITH ORGANOBORON DERIVATIVES UNIV SOUTHERN CALIFORNIA (US) 2008-10-15 EP claimed
US-20040053330-A1 Amino polyols and amino sugars NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-18 US claimed
JP-59070663-A None JP disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-4556514-A INTERMEDIATES FOR PRODUCTION OF CARBAPENEM OR PENEM DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-12-03 US disclosed
US-4536334-A Preparation of β-lactam derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-08-20 US disclosed
EP-0064797-B1 N-DIARYLMETHYL-3-AMINO-4-ALKENARYL-2-AZETIDINONES AND THEIR PREPARATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-22 EP disclosed
EP-0023097-B1 DE-ARYLMETHYLATION OF N-MONO- OR N-DIARYLMETHYL-BETA-LACTAMS; NOVEL AZETIZINONES HAVING ANTI-BACTERIAL ACTIVITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-01 EP disclosed
EP-0106652-A1 Beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-04-25 EP disclosed
JP-S5970663-A PREPARATION OF BETA-LACTAM DERIVATIVE SUMITOMO CHEM CO LTD 1984-04-21 JP disclosed
EP-0070204-A2 Carboxylic beta-lactam compounds and the preparation thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1983-01-19 EP disclosed
EP-0064797-A1 N-Diarylmethyl-3-amino-4-alkenaryl-2-azetidinones and their preparation SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-11-17 EP disclosed
EP-0023097-A1 De-arylmethylation of N-mono- or N-diarylmethyl-beta-lactams; novel azetizinones having anti-bacterial activity SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-28 EP 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 (8 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-20040053330-A1 Amino polyols and amino sugars STT3B, METTL3, GFPT1 SLC6A4 1155/4885CYP1A2 2901/4885CYP2D6 1381/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A SLC6A4 2870/4885CYP1A2 2143/4885CYP2D6 2285/4885

“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.