SCHEMBL4989141

SCHEMBL4989141

ClCc1ccc(Cl)cc1.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.50
TAAR1 Q96RJ0 2/20 0.48
AGXT P21549 2/20 0.46
SLC6A4 P31645 2/20 0.46
GSK3B P49841 1/20 0.44
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL120896 0.97
SCHEMBL3986244 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
Phosphine SCHEMBL4870393 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
Methane SCHEMBL28356057 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
Hydrochloric Acid SCHEMBL11121998 0.94 IDO1 (0.52) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL16663974 0.88 TAAR1 (0.56) IDO1LMNACYP2A6TAAR1AGXT
Formaldehyde SCHEMBL27548647 0.88 IDO1 (0.48) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL8992968 0.88 IDO1 (0.48) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL2069301 0.88 MAOB (0.54) IDO1LMNACYP2A6TAAR1AGXT
SCHEMBL27838456 0.86 IDO1 (0.46) IDO1LMNACYP2A6TAAR1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114920771-A Novel synthesis process of intermediate of novel oral medicine for overactive bladder 苏州虞美景盛新药开发有限公司 2022-08-19 CN claimed
CN-102649796-A Preparation method for important intermediates of butoconazole nitrate SICHUAN DIHON MEDICAL DEV CO LTD 2012-08-29 CN claimed
CN-100548950-C Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2009-10-14 CN claimed
CN-1759084-A Process for preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS INC (US) 2006-04-12 CN claimed
CN-116396155-B Synthesis method of 1- (4-chlorophenyl) -2-cyclopropyl-1-acetone 辽宁众辉生物科技有限公司 2024-11-22 CN disclosed
CN-113121322-B Synthesis method of 1- (4-chlorophenyl) -2-cyclopropyl-1-acetone 辽宁众辉生物科技有限公司 2024-10-29 CN disclosed
CN-117402044-B Synthesis method of 1- (4-chlorophenyl) -2-cyclopropyl-1-acetone 辽宁众辉生物科技有限公司 2024-08-30 CN disclosed
CN-117402044-A Synthesis method of 1- (4-chlorophenyl) -2-cyclopropyl-1-acetone 辽宁众辉生物科技有限公司 2024-01-16 CN disclosed
CN-116731083-A Organic electroluminescent material and device 环球展览公司 2023-09-12 CN disclosed
CN-106946940-B Organic electroluminescent material and device 环球展览公司 2023-07-18 CN disclosed
CN-116396155-A Synthesis method of 1- (4-chlorophenyl) -2-cyclopropyl-1-acetone 辽宁众辉生物科技有限公司 2023-07-07 CN disclosed
CN-114920771-A Novel synthesis process of intermediate of novel oral medicine for overactive bladder 苏州虞美景盛新药开发有限公司 2022-08-19 CN disclosed
WO-2004080463-A1 HETEROCYCLIC KINASE INHIBITORS: METHODS OF USE AND SYNTHESIS SCHERING CORPORATION (US) 2004-09-23 WO disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US disclosed
US-6653508-B2 Use treating various medical conditions, including pain GRUENENTHAL GMBH (DE) 2003-11-25 US disclosed
CN-1441796-A Cyclic substituted aminomethyl compounds and medicaments containing said compounds GRUENENTHAL GMBH (DE) 2003-09-10 CN disclosed
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives GRUENTENTHAL GMBH (DE) 2002-10-31 US disclosed
CN-1255136-A Substituted 4-arylmethylene-2-imino-2,3-dihydrothiazoles and derivatives and their pharmaceutical use KNOLL AG (DE) 2000-05-31 CN disclosed
US-5232916-A Inhibitors of leukotriene synthesis MERCK FROSST CANADA, INC. (CA) 1993-08-03 US disclosed
US-5102881-A Leukotriene biosynthesis inhibitor MERCK FROSST CANADA, INC. (CA) 1992-04-07 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 (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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT IDO1 1688/4885LMNA 1553/4885CYP2A6 376/4885
US-20020161262-A1 3-Amino-2-benzyl-1-phenylpropane derivatives PYGL, CYP11B2, GOT2 IDO1 2440/4885LMNA 315/4885CYP2A6 238/4885

“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.