Sugi Predict

Sugi Predict / Compounds / SCHEMBL771273

SCHEMBL771273

SCHEMBL771273

C/C=C\c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 1/20 0.58
▸ CYP1A2 P05177 2/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ RELA Q04206 1/20 0.56
▸ CHRM5 P08912 1/20 0.54
▸ FBP1 P09467 1/20 0.53
▸ MAOB P27338 6/20 0.49
▸ MAOA P21397 3/20 0.45
▸ NFE2L2 Q16236 3/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ CYP1A1 P04798 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL321041 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL1668240 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL29983358 1.00 CHAT (0.58) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL699364 0.85 CHAT (0.67) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL699365 0.85 CHAT (0.67) CHATCYP1A2CYP2C9RELACHRM5
SCHEMBL335941 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL29033283 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL335942 0.83 CNR2 (0.50) RELAFBP1MAOBMAOANFE2L2
SCHEMBL575075 0.81 — —
SCHEMBL11471054 0.81 CYP1A2 (0.61) CHATCYP1A2CYP2C9RELACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1733211-A4 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS UNIV JOHNS HOPKINS (US) 2007-05-30 — — EP claimed
EP-1733211-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS-HOPKINS UNIVERSITY (US) 2006-12-20 — — EP claimed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 — — WO claimed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 — — US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 — — US disclosed
CN-105802925-B A kind of CYP119 enzyme mutant and its application 西南医科大学 2019-06-25 — — CN disclosed
EP-3328539-A1 MOLECULARLY IMPRINTED POLYMER BEADS FOR EXTRACTION OF METALS AND USES THEREOF 6th Wave Innovations Corp. (US) 2018-06-06 — — EP disclosed
CN-105802925-A CYP119 enzyme mutant and application thereof 西南医科大学 2016-07-27 — — CN disclosed
EP-1602369-A2 Bupropion Metabolites and Methods of their Synthesis and Use Sepracor, Inc. (US) 2005-12-07 — — EP disclosed
WO-2005103655-A1 PROCESSABLE MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-11-03 — — WO disclosed
WO-2005038734-A2 AUTHENTICATION OF PRODUCTS USING MOLECULARLY IMPRINTED POLYMERS THE JOHNS HOPKINS UNIVERSITY (US) 2005-04-28 — — WO disclosed
EP-1509302-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2005-03-02 — — EP disclosed
WO-2003101580-A1 SOLID MYCOCTOXIN CARRIERS Austria Wirtschaftsservice Gesellschaft mit beschränkter Haftung (AT) 2003-12-11 — — WO disclosed
US-20020052341-A1 Bupropion metabolites and methods of their synthesis and use SEPRACOR INC. 2002-05-02 — — US disclosed
US-20020052340-A1 Bupropion metabolites and methods of their synthesis and use JERUSSI THOMAS P (US) 2002-05-02 — — US disclosed
US-6342496-B1 BRAIN DISORDERS SEPRACOR INC. 2002-01-29 — — US disclosed
US-6337328-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH 2-(3-CHLOROPHENYL)-2-HYDROXY-3,5,5-TRIMETHYL-MORPHOLINOL, 1-(3-CHLOROPHENYL)-2-((1,1-DIMETHYLETHANOL)AMINO)-1-PROPANOL, AND SEPRACOR, INC. 2002-01-08 — — US 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-20020052341-A1 Bupropion metabolites and methods of their synthesis and use MAOB, MAOA, HTR5A CHAT 23/4885CYP1A2 214/4885CYP2C9 431/4885
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 CHAT 4202/4885CYP1A2 1064/4885CYP2C9 802/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G CHAT 4875/4885CYP1A2 3277/4885CYP2C9 3349/4885
US-20020052340-A1 Bupropion metabolites and methods of their synthesis and use MAOB, MAOA, HTR5A CHAT 39/4885CYP1A2 153/4885CYP2C9 407/4885

“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.