SCHEMBL1989798

SCHEMBL1989798

Cc1ccc(C(C)CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.62
ACHE P22303 3/20 0.48
STAT3 P40763 1/20 0.44
GRIA4 P48058 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
CHRNA7 P36544 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX5 P09917 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
CA7 P43166 1/20 0.39
PBK Q96KB5 2/20 0.38
GBA1 P04062 1/20 0.37

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
SCHEMBL11399322 1.00 TAAR1 (0.62) TAAR1ACHESTAT3GRIA4CYP1A2
Hydrochloric Acid SCHEMBL5878048 0.98 TAAR1 (0.60) TAAR1ACHESTAT3GRIA4CYP1A2
SCHEMBL3006604 0.89 TAAR1 (0.75) TAAR1TDP1
Hydrochloric Acid SCHEMBL6564727 0.87 TAAR1 (0.71) TAAR1TDP1
SCHEMBL5146825 0.81 ACHE (0.46) TAAR1ACHESTAT3GRIA4CYP1A2
SCHEMBL17504534 0.81 TAAR1 (0.42) TAAR1ACHESTAT3GRIA4CYP1A2
Hydrochloric Acid SCHEMBL5877955 0.80 TAAR1 (0.62) TAAR1TDP1
SCHEMBL4527843 0.80 TAAR1 (0.62) TAAR1ACHEGRIA4TDP1
SCHEMBL20425554 0.78 TAAR1 (0.60) TAAR1CYP1A2CYP2A6ALOX5MAOA
SCHEMBL21286098 0.78 TAAR1 (0.60) TAAR1CYP1A2CHRNA7

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 21 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-2024097228-A1 COMPOUNDS TARGETING CDK11 AND METHODS OF USING THE SAME MELIORA THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed
EP-3609868-B1 TETRAHYDROQUINOLINE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS RAQUALIA PHARMA INC (JP) 2023-10-18 EP 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
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
CN-111848494-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2020-10-30 CN disclosed
US-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SIGILON THERAPEUTICS, INC. 2020-02-06 US disclosed
CN-105473575-B Benzimidazolyl-methylurea derivatives as ALX receptor agonists 爱杜西亚药品有限公司 2017-11-24 CN disclosed
EP-2943483-B1 BENZYLAMINE DERIVATIVES KALVISTA PHARMACEUTICALS LTD (GB) 2017-03-01 EP disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US 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
EP-1641740-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-04-05 EP disclosed
WO-2004103951-A1 METHOD FOR PRODUCING AN OPTICALLY ACTIVE NITRO COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 WO disclosed
EP-0882715-B1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA CHEMICAL IND CO LTD (JP) 2003-04-23 EP disclosed
US-6339045-B1 CAN BE USED IN A SMALL AMOUNT, SHOWING A GOOD SELECTIVITY BETWEEN CROP AND WEED, AND CAUSING NO PHYTOTOXICITY KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-15 US disclosed
EP-0882715-A1 NOVEL N-(UNSUBSTITUTED OR SUBSTITUTED)-4-SUBSTITUTED-6-(UNSUBSTITUTED OR SUBSTITUTED)PHENOXY-2-PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES, PROCESSES FOR PRODUCING THE SAME, AND HERBICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 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 (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-20200039943-A1 COMPOUNDS, DEVICES, AND USES THEREOF SLC10A1, SLCO1B3, SLC5A1 TAAR1 473/4885ACHE 336/4885STAT3 2457/4885
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 637/4885ACHE 3226/4885STAT3 1167/4885

“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.