SCHEMBL2557142

SCHEMBL2557142

c1cnc2c(c1)CCCNC2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.39
CD44 P16070 2/20 0.39
MAOB P27338 1/20 0.39
HTR2C P28335 5/20 0.37
HTR2B P41595 2/20 0.36
CYP2D6 P10635 3/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTR2A P28223 1/20 0.35
DRD2 P14416 2/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
ADRA2C P18825 1/20 0.33
CHRNA7 P36544 1/20 0.33
OPRK1 P41145 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL13034112 0.95 PNMT (0.38) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL588622 0.89 PNMT (0.52) PNMTCD44MAOBHTR2CHTR2B
Hydrochloric Acid SCHEMBL15410642 0.87 PNMT (0.50) PNMTCD44MAOBHTR2CPOLB
Hydrochloric Acid SCHEMBL12985101 0.87 PNMT (0.50) PNMTCD44MAOBHTR2CPOLB
SCHEMBL18743002 0.85 CD44 (0.44) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL15943597 0.80 CD44 (0.42) PNMTCD44MAOBHTR2CHTR2B
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL29617701 0.78
6,7-Dihydro-5H-Pyrrolo[3,4-B]Pyridine SCHEMBL103669 0.78
SCHEMBL30331914 0.77 PNMT (0.52) PNMTCD44MAOBHTR2CHTR2B
SCHEMBL12822 0.77 PNMT (0.52) PNMTCD44MAOBHTR2CHTR2B

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
EP-2558462-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-20 EP claimed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US claimed
WO-2011128420-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 WO claimed
US-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. 2024-12-03 US disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-12-22 US disclosed
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-07-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-20200048394-A1 HARDENABLE POLYMER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20200048431-A1 STABILIZER COMPOSITION BASF SE (DE) 2020-02-13 US disclosed
US-20190210954-A1 Process for Preparing Substituted Biphenyls LIANHE CHEMICAL TECHNOLOGY CO., LTD (CN) 2019-07-11 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE ABBVIE INC. 2017-08-03 US disclosed
US-8791133-B2 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2014-07-29 US disclosed
EP-2558462-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2013-02-20 EP disclosed
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors SANOFI (FR) 2013-02-14 US disclosed
WO-2011128420-A1 PYRIDYL-VINYL PYRAZOLOQUINOLINES AS PAR1 INHIBITORS SANOFI (FR) 2011-10-20 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 (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-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 PNMT 149/4885CD44 3506/4885MAOB 1320/4885
US-20190210954-A1 Process for Preparing Substituted Biphenyls PIK3CA, PIK3CB, PIK3CG PNMT 732/4885CD44 4145/4885MAOB 1285/4885
US-20220402917-A1 COMPOUND AS SMALL MOLECULE INHIBITOR PD-1/PD-L1 AND APPLICATION THEREOF CD274, PDCD1, PDCD1LG2 PNMT 4035/4885CD44 620/4885MAOB 2716/4885
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF KCNJ2, KCNN2, KCNH2 PNMT 149/4885CD44 3506/4885MAOB 1320/4885
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 PNMT 146/4885CD44 3559/4885MAOB 1329/4885
US-20130040981-A1 Pyridylvinylpyrazoloquinolines as PAR1 inhibitors F2R, F2RL1, F2RL3 PNMT 1961/4885CD44 4864/4885MAOB 758/4885
US-20170217850-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL PNMT 1202/4885CD44 645/4885MAOB 791/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL PNMT 1202/4885CD44 645/4885MAOB 791/4885

“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.