SCHEMBL1984485

SCHEMBL1984485

CC(CN)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.57
UGT2B7 P16662 1/20 0.57
SLC6A2 P23975 6/20 0.53
SLC6A4 P31645 6/20 0.53
SLC6A3 Q01959 6/20 0.53
CYP2D6 P10635 4/20 0.53
KCNH2 Q12809 3/20 0.53
CYP3A4 P08684 3/20 0.53
AOC3 Q16853 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47

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
SCHEMBL30717250 1.00 TAAR1 (0.57) TAAR1UGT2B7SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6559140 0.98 SLC6A2 (0.55) TAAR1UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL16684715 0.82 UGT2B7 (0.59) UGT2B7CYP2D6AOC3MEN1CYP1A2
SCHEMBL5401290 0.82 UGT2B7 (0.59) UGT2B7CYP2D6AOC3MEN1CYP1A2
SCHEMBL17892165 0.81 SLC6A2 (0.67) TAAR1UGT2B7SLC6A2SLC6A4SLC6A3
SCHEMBL13646401 0.80 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL74874 0.80 UGT2B7 (0.57) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6678170 0.80 ABCB11 (0.66) UGT2B7SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL6678168 0.80 UGT2B7 (0.57) UGT2B7CYP2D6AOC3MEN1CYP1A2
Bromide SCHEMBL11287353 0.79 CYP2C9 (0.44) TAAR1UGT2B7SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US claimed
WO-2024010529-A1 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM RACEMIC EPOXIDES BY CASCADE BIOTRANSFORMATION INVOLVING EPOXIDE ISOMERIZATION AND DYNAMIC KINETIC RESOLUTION NATIONAL UNIVERSITY OF SINGAPORE (SG) 2024-01-11 WO disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
EP-2055689-B1 Method for producing an optically active nitro compound SUMITOMO CHEMICAL CO (JP) 2011-06-29 EP disclosed
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US disclosed
EP-2055689-A1 Method for producing an optically active nitro compound Sumitomo Chemical Company, Limited (JP) 2009-05-06 EP disclosed
EP-1641740-B1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-03-25 EP disclosed
US-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand SUMITOMO CHEMICAL COMPANY, LIMITED ERICK M. CARREIRA 2007-02-15 US disclosed
US-7135487-B2 such as N-2-(4-Bromophenyl)propyl methanesulfonamide; sulfonamidation of the amine; glutamate receptor potentiators ELI LILLY AND COMPANY (US) 2006-11-14 US disclosed
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
WO-2002098400-A1 NOVEL ARYLAMINOPROPANE ANALOGUES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 WO disclosed
US-20020002158-A1 Sulphonamide derivatives ARNOLD MACKLIN B (US) 2002-01-03 US disclosed
US-6303816-B1 Sulphonamide derivatives ELI LILLY AND COMPANY 2001-10-16 US disclosed
CN-1251523-A Sulfonamide derivatives LILLY CO ELI (US) 2000-04-26 CN disclosed
WO-2000006176-A1 AMIDOPHOSPHATE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006537-A1 N-SUBSTITUTED SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
WO-2000006156-A1 AMIDE, CARBAMATE, AND UREA DERIVATIVES ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976744-A1 Amide, carbamate, and urea derivatives having glutamate receptor function potentiating activity ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0860428-A2 Sulphonamide derivatives ELI LILLY AND COMPANY (US) 1998-08-26 EP disclosed
WO-1998033496-A1 SULPHONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1998-08-06 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 (2 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-20020002158-A1 Sulphonamide derivatives GRIN2C, GRM1, GRM3 TAAR1 150/4885UGT2B7 717/4885SLC6A2 649/4885
US-20070037976-A1 such as 1-amino-2-phenylpropane by reacting unsaturated nitroolefin with organosilicon compounds such as poly(methylhydrosiloxane) and phenylsilane, in presence of asymmetric copper complex having phosphine ligand L1CAM, SPATS2L, AAAS TAAR1 637/4885UGT2B7 3074/4885SLC6A2 162/4885

“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.