SCHEMBL538475

SCHEMBL538475

CCCCCNCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.76
CHRM2 P08172 1/20 0.73
HRH4 Q9H3N8 1/20 0.71
HRH3 Q9Y5N1 1/20 0.71
SIGMAR1 Q99720 4/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 3/20 0.65
CYP2C19 P33261 3/20 0.65
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55

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
SCHEMBL253468 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2887852 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2890583 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL8773435 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2890107 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL339686 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL1692071 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2882451 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2890680 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1
SCHEMBL2889761 0.98 MAOA (0.80) MAOACHRM2HRH4HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671781-B Method for converting arylbenzylamine into arylnitrile compound 南通大学 2024-04-19 CN claimed
CN-114671781-A Method for efficiently converting arylbenzylamine into aryl nitrile compound 南通大学 2022-06-28 CN claimed
CN-108610338-A A kind of preparation method of Pyrimidone amide 天津国际生物医药联合研究院 2018-10-02 CN claimed
CN-105218391-B L winestone acid monoester monoamides class compounds 天津青松华药医药有限公司 2017-11-21 CN claimed
CN-106397100-A Synthesis method of amorolfine drug intermediate p-tertiary amyl benzyl bromide 厦门市凯尔利信息科技有限公司 2017-02-15 CN claimed
CN-103459452-B Storage-stable polyurethane prepregs made of polyurethane compositions with liquid resin components and molded parts made therefrom EVONIK DEGUSSA GMBH (DE) 2016-11-30 CN claimed
CN-105218391-A D-tartrate monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN claimed
CN-105218392-A L-TARTARIC ACID monoesters monoamide compounds TIANJIN GREENPINE CHINESE MEDICINE PHARMACEUTICAL CO LTD 2016-01-06 CN claimed
CN-103459452-A Storage-stable polyurethane prepregs made of polyurethane compositions with liquid resin components and molded parts made therefrom EVONIK DEGUSSA GMBH 2013-12-18 CN claimed
US-20120248033-A1 POROUS MATERIALS FOR SOLID PHASE EXTRACTION AND CHROMATOGRAPHY AND PROCESSES FOR PREPARATION AND USE THEREOF WATERS TECHNOLOGIES CORPORATION (US) 2012-10-04 US claimed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 US claimed
US-20060021939-A1 Porous materials for solid phase extraction and chromatography and processes for preparation and use thereof WATERS INVESTMENTS LIMITED (US) 2006-02-02 US claimed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 EP claimed
CN-1063429-C Preparation of arylbenzylamines BASF AG (DE) 2001-03-21 CN claimed
US-5840977-A CYCLOHEXANOL UREA DERIVATIVE AS INTERMEDIATE FUJIREBIO INC. (JP) 1998-11-24 US claimed
CN-1115754-A Preparation of arylbenzylamines BASF AG (DE) 1996-01-31 CN claimed
EP-0612740-A1 Methods of producing pantothenic acid derivative and its starting materials for producing the same FUJIREBIO Inc. (JP) 1994-08-31 EP claimed
US-5264583-A Photographic coupler and method of making the same EASTMAN KODAK COMPANY (US) 1993-11-23 US claimed
EP-0018415-B1 PROCESS FOR PRODUCING ALKYL 4-(ALKOXY METHYL PHOSPHINOYL)BUTYRATES AND ALKYL-(2-AMINO-4-(ALKOXY METHYL PHOSPHINOYL)) BUTYRATES MEIJI SEIKA KAISHA LTD. (JP) 1982-10-13 EP claimed
EP-0018415-A1 Process for producing alkyl 4-(alkoxy methyl phosphinoyl)butyrates and alkyl-(2-amino-4-(alkoxy methyl phosphinoyl)) butyrates MEIJI SEIKA KAISHA LTD. (JP) 1980-11-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 MAOA 1051/4885CHRM2 143/4885HRH4 123/4885

“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.