SCHEMBL4201453

SCHEMBL4201453

CCCc1ccccc1I

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.60
IDO1 P14902 2/20 0.46
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LIPG Q9Y5X9 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL30464079 1.00 TAAR1 (0.60) TAAR1IDO1ADRA2AADRA2BADRA2C
SCHEMBL4181180 0.86 TAAR1 (0.56) TAAR1IDO1CYP2D6CYP2C9LIPG
SCHEMBL14302122 0.84 LIPG (0.55) TAAR1IDO1LIPGPPARGPPARA
SCHEMBL27997934 0.84 TAAR1 (0.71) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL551121 0.82 LIPG (0.58) TAAR1LIPGPPARGPPARA
SCHEMBL8766368 0.82 LIPG (0.58) TAAR1LIPGPPARGPPARA
SCHEMBL3899345 0.82 LIPG (0.58) TAAR1LIPGPPARGPPARA
SCHEMBL29554553 0.82 LIPG (0.58) TAAR1LIPGPPARGPPARA
SCHEMBL5599179 0.82 LIPG (0.58) TAAR1LIPGPPARGPPARA
SCHEMBL29488434 0.81 ADRA2B (0.44) TAAR1ADRA2AADRA2BADRA2CLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074305-A1 TETRAHYDRONAPHTHALENE-BASED ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE SHENZHEN CHINA STAR OPTOELECTRONICS SEMICONDUCTOR DISPLAY TECHNOLOGY CO., LTD. (CN) 2024-02-29 US disclosed
CN-114394923-B Preparation method of N-acyl-2-alkyl indoline compound 浙江工业大学 2024-02-06 CN disclosed
CN-117500785-A Azetidinyl-containing carboxylic acid compounds for the treatment of neurodegenerative diseases 细胞基因公司 2024-02-02 CN disclosed
CN-115044508-B Lactococcus lactis subspecies lactis and application thereof in three-bean soup fermented beverage 锦州医科大学 2023-07-21 CN disclosed
CN-114394923-A Preparation method of N-acyl-2-alkyl indoline compound 浙江工业大学 2022-04-26 CN disclosed
CN-109021022-B Luminescent diazabenzimidazole carbene metal complexes UDC 爱尔兰有限责任公司 2021-04-16 CN disclosed
US-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen BRITISH COLUMBIA CANCER AGENCY BRANCH 2021-01-05 US disclosed
US-10765681-B2 Purine compounds possessing anticancer activity ACADEMIA SINICA (TW) 2020-09-08 US disclosed
EP-3353167-B1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-06-24 EP disclosed
EP-3521272-A1 STILBENE DERIVATIVE AND METHOD FOR PREPARING SAME Ozchela Inc. (KR) 2019-08-07 EP disclosed
EP-1707263-B1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same TOSOH CORP (JP) 2009-02-25 EP disclosed
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same TOSOH CORPORATION 2006-10-05 US disclosed
EP-1707263-A1 Catalyst composition comprising an alkylene diamine-nickel complex and process for producing a cross-coupled compound using the same Tosoh Corporation (JP) 2006-10-04 EP disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
CN-1409699-A Process for preparation of secondary and tertiary amines CELGRO (US) 2003-04-09 CN disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
US-6080870-A Biaryl substituted imidazole compounds useful as farnesyl-protein transferase inhibitors MERCK & CO., INC. (US) 2000-06-27 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
EP-0891333-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036875-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 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 (4 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-10882871-B2 18/19F-labelled compounds which target the prostate specific membrane antigen KLK3, FOLH1, FOLR1 TAAR1 2458/4885IDO1 4110/4885ADRA2A 3880/4885
US-10765681-B2 Purine compounds possessing anticancer activity NTPCR, PNP, NUDT1 TAAR1 3117/4885IDO1 1499/4885ADRA2A 2982/4885
US-20060224011-A1 Catalyst composition and process for producing cross-coupled compound using same C5, TST, PYM1 TAAR1 108/4885IDO1 642/4885ADRA2A 2385/4885
US-20240074305-A1 TETRAHYDRONAPHTHALENE-BASED ORGANIC COMPOUND, MIXTURE, COMPOSITION, AND ORGANIC ELECTRONIC DEVICE EXOC1, TRPA1, CYBA TAAR1 2082/4885IDO1 1663/4885ADRA2A 3291/4885

“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.