SCHEMBL631298

SCHEMBL631298

[CH2]N1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.54
SIGMAR1 Q99720 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
MAPT P10636 4/20 0.54
CHRNA7 P36544 2/20 0.54
ALDH1A1 P00352 3/20 0.53
USP2 O75604 2/20 0.53
TSHR P16473 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PHGDH O43175 1/20 0.53
MGLL Q99685 1/20 0.53
DRD4 P21917 1/20 0.52
KCNH2 Q12809 1/20 0.52
MAPK1 P28482 2/20 0.50

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
SCHEMBL164538 0.87 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL16924853 0.87 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL576814 0.87 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL576454 0.87 LMNA (0.67) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL385012 0.87
SCHEMBL7258870 0.84 LMNA (0.64) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL577708 0.79 LMNA (0.58) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL14500221 0.79 LMNA (0.58) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL576673 0.79 LMNA (0.58) LMNASIGMAR1HTR3EHTR3BADRB1
SCHEMBL2114220 0.77 LMNA (0.56) LMNASIGMAR1HTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 US claimed
EP-4242210-A1 NEW BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF China Pharmaceutical University (CN) 2023-09-13 EP claimed
CN-116507628-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2023-07-28 CN claimed
CN-114456171-A Benzodiazepine medicine for sedation and hypnosis, preparation method and application thereof 中国药科大学 2022-05-10 CN claimed
CN-112358483-A Novel benzodiazepine compound, preparation method and application thereof 中国药科大学 2021-02-12 CN claimed
CN-1849308-A Thiophenylaminoimidazolines ROCHE PALO ALTO LLC (CH) 2006-10-18 CN claimed
US-7078401-B2 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC (US) 2006-07-18 US claimed
CN-1679562-A Antiviral compounds ANORMED INC (CA) 2005-10-12 CN claimed
US-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists ROCHE PALO ALTO LLC 2005-01-27 US claimed
US-5716904-A FOR BROARD LEAF WEEDS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US claimed
EP-0764641-A1 NOVEL 4,5-DISUBSTITUTED PYRIMIDINE DERIVATIVE AND HERBICIDE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-26 EP claimed
CN-1133589-A Novel pyrimidine derivative, herbicide and plant growth regulator NISSAN CHEMICAL IND LTD (JP) 1996-10-16 CN claimed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US claimed
EP-0274259-B1 New renin-inhibitory oligopeptides, their preparaton and their use SANKYO CO (JP) 1994-02-16 EP claimed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP claimed
EP-0073997-A1 Substituted 2-amino-3,4-dihydro-pyridine derivatives, process for their preparation and their use in medicines BAYER AG (DE) 1983-03-16 EP claimed
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-12-28 US disclosed
EP-4242210-A1 NEW BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF China Pharmaceutical University (CN) 2023-09-13 EP disclosed
US-4199519-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-04-22 US disclosed
US-4151357-A FOR PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1979-04-24 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-20050020648-A1 Thiophenylaminoimidazolines as IP antagonists TBXA2R, MRGPRX2, MRGPRX1 LMNA 4165/4885SIGMAR1 303/4885HTR3E 486/4885
US-20230416258-A1 BENZODIAZEPINE COMPOUNDS, AND PREPARATION METHOD THEREFOR AND USE THEREOF GABRA4, GABRA1, GABRA5 LMNA 2002/4885SIGMAR1 272/4885HTR3E 1256/4885

“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.