SCHEMBL1908636

SCHEMBL1908636

CNCC(c1ccccc1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.64
HTR2A P28223 4/20 0.60
HRH1 P35367 3/20 0.60
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
SLC6A2 P23975 11/20 0.48
SLC6A4 P31645 11/20 0.48
SLC6A3 Q01959 9/20 0.48
CYP2D6 P10635 5/20 0.48
CYP3A4 P08684 4/20 0.48
KCNH2 Q12809 4/20 0.47
AOC3 Q16853 1/20 0.46
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11291944 0.89 TAAR1 (0.53) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL1979887 0.87 SLC6A4 (0.65) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL1982475 0.84 TAAR1 (0.48) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL16301227 0.84 SLC6A2 (0.55) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL9129451 0.82 SLC6A3 (0.53) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL23783575 0.80 TAAR1 (0.95) TAAR1HTR2AHRH1SLC6A2SLC6A4
Phenpromethamine SCHEMBL3958676 0.80 TAAR1 (0.95) TAAR1HTR2AHRH1SLC6A2SLC6A4
Phenpromethamine SCHEMBL681384 0.80 TAAR1 (0.95) TAAR1HTR2AHRH1SLC6A2SLC6A4
Phenpromethamine SCHEMBL4917327 0.80 TAAR1 (0.95) TAAR1HTR2AHRH1SLC6A2SLC6A4
SCHEMBL23609196 0.78 TAAR1 (0.57) TAAR1HTR2AHRH1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3498695-B1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2020-12-09 EP claimed
US-10556868-B2 Method for synthesizing 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid and intermediates thereof ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2020-02-11 US claimed
US-20190202791-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AND INTERMEDIATES THEREOF ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2019-07-04 US claimed
EP-3498695-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID, AND INTERMEDIATES THEREOF Zhejiang Yongtai Technology Co., Ltd. (CN) 2019-06-19 EP claimed
CN-1510030-A Preparations of 3-(methylthio) propylaldehyde and 2-hydroxy-4-(methylthio) propyl cyanides 诺沃斯国际公司 2004-07-07 CN claimed
CN-1092184-C Process for preparing 3- (methylthio) propanal NOVAS INTERNAT INC (US) 2002-10-09 CN claimed
CN-1189818-A Process for the preparation of 3- (methylthio) propanal and 2-hydroxy-4- (methylthio) butanenitrile NOVAS INTERNATIONAL INC (US) 1998-08-05 CN claimed
WO-2023101556-A1 NOVEL INHIBITORS OF ASPARTATE TRANSCARBAMOYLASE (ATCASE) AND COMPOSITIONS, METHODS AND USES RELATED THERETO. RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-06-08 WO disclosed
CN-114040947-B Cationic electrodeposition coating composition 日涂汽车涂料有限公司 2023-02-28 CN disclosed
CN-114040947-A Cationic electrodeposition coating composition 日涂汽车涂料有限公司 2022-02-11 CN disclosed
CN-113840884-A Method for preparing cationic electrodeposition coating composition 日涂汽车涂料有限公司 2021-12-24 CN disclosed
EP-3498695-B1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ZHEJIANG YONGTAI TECHNOLOGY CO LTD (CN) 2020-12-09 EP disclosed
CN-107969133-B Cationic electrodeposition coating composition 日涂汽车涂料有限公司 2020-10-16 CN disclosed
CN-1189818-A Process for the preparation of 3- (methylthio) propanal and 2-hydroxy-4- (methylthio) butanenitrile NOVAS INTERNATIONAL INC (US) 1998-08-05 CN disclosed
WO-1997041846-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0806205-A2 Urea, thiourea and guanidine compounds and their use as anti-viral agents ELI LILLY AND COMPANY (US) 1997-11-12 EP disclosed
US-5225411-A Triazines ADIR ET COMPAGNIE (FR) 1993-07-06 US disclosed
EP-0333938-B1 2-HYDROXY-3-ARYLOXY-PROPYLAMINE DERIVATIVES HAVING CARDIOVASCULAR ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-04-14 EP disclosed
US-5047425-A Amine derivatives having cardiovascular activity SIMES SOCIETA ITALIANA MEDICINALI & SINTETICI SPA (IT) 1991-09-10 US disclosed
EP-0333938-A1 2-Hydroxy-3-aryloxy-propylamine derivatives having cardiovascular activity ZAMBON GROUP S.p.A. (IT) 1989-09-27 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-20190202791-A1 METHOD FOR SYNTHESIZING 3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID AND INTERMEDIATES THEREOF AFF4, AFF1, AFF2 TAAR1 1051/4885HTR2A 3623/4885HRH1 179/4885
US-10556868-B2 Method for synthesizing 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid and intermediates thereof AFF1, AFF4, AFF2 TAAR1 1044/4885HTR2A 3501/4885HRH1 148/4885

“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.