SCHEMBL7323716

SCHEMBL7323716

S=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 16/20 1.00
ALDH1A1 P00352 1/20 1.00
PKM P14618 1/20 1.00
HTT P42858 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
ALOX12 P18054 1/20 0.74
SMN1; SMN2 Q16637 1/20 0.74
CNR1 P21554 1/20 0.71
NTSR1 P30989 1/20 0.71
OPRK1 P41145 1/20 0.71
PDE4D Q08499 1/20 0.71
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52

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
SCHEMBL29627864 1.00 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7322165 0.89 CHRM1 (0.80) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7330628 0.85 ALOX12 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
Nordazepam SCHEMBL31000330 0.83 PDE4D (1.00) CHRM1ALDH1A1PKMHTTNPSR1
Nordazepam SCHEMBL78453 0.83 PDE4D (1.00) CHRM1ALDH1A1PKMHTTNPSR1
Nordazepam SCHEMBL29354494 0.83 PDE4D (1.00) CHRM1ALDH1A1PKMHTTNPSR1
Nordazepam SCHEMBL8090999 0.83 PDE4D (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7323866 0.83 CHRM1 (1.00) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL7331808 0.83 CHRM1 (0.71) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL10741591 0.83 CHRM1 (0.71) CHRM1ALDH1A1PKMHTTNPSR1

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
CN-110579546-B Method for measuring alprazolam tablet related substances by high performance liquid chromatography 北京悦康科创医药科技股份有限公司 2022-05-03 CN claimed
CN-110579546-A Method for measuring alprazolam tablet related substances by high performance liquid chromatography 北京悦康科创医药科技股份有限公司 2019-12-17 CN claimed
CN-110579546-B Method for measuring alprazolam tablet related substances by high performance liquid chromatography 北京悦康科创医药科技股份有限公司 2022-05-03 CN disclosed
CN-113549078-A Preparation method of stable isotope labeled alprazolam and estazolam internal standard reagent 谱同生物医药科技(常州)有限公司 2021-10-26 CN disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
CN-110579546-A Method for measuring alprazolam tablet related substances by high performance liquid chromatography 北京悦康科创医药科技股份有限公司 2019-12-17 CN disclosed
EP-3535253-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-22 US disclosed
US-8106189-B2 Process for preparation of triazol-benzodiazepine derivatives CENTAUR CHEMICALS PVT LTD (IN) 2012-01-31 US disclosed
US-20090093629-A1 PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES CENTAUR CHEMICALS PVT LTD (IN) 2009-04-09 US disclosed
US-20090093629-A1 PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES CENTAUR CHEMICALS PVT LTD (IN) 2009-04-09 US disclosed
US-4116956-A BENZODIAZEPINE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-09-26 US disclosed
US-4094870-A 2-Substituted thio-1,4-benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-06-13 US disclosed
US-4021441-A 1-[(Allylamino)-methyl]-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1977-05-03 US disclosed
US-4012413-A 1-(2-AMINOALKYL)-6-PHENYL-TRIAZOLO-BENZODIAZEPINE COMPOUNDS USED AS TRANQUILIZERS AND ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1977-03-15 US disclosed
US-4010177-A [3-Substituted-5-[(di-methylamino)methyl]-4H-1,2,4-triazol-4-yl]benzophenones and process THE UPJOHN COMPANY (US) 1977-03-01 US disclosed
US-4005099-A 1-[(Dimethylamino)-methyl]-6-aryl-4H-imidazo[1,5-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1977-01-25 US disclosed
US-3992408-A CHEMICAL INTERMEDIATES THE UPJOHN COMPANY (US) 1976-11-16 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3980789-A SOPORIFICS AND SLEEP INDUCERS THE UPJOHN COMPANY (US) 1976-09-14 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 (3 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-20090093629-A1 PROCESS FOR PREPARATION OF TRIAZOL-BENZODIAZEPINE DERIVATIVES GABBR1, GABBR2, CYP2C19 CHRM1 1016/4885ALDH1A1 2973/4885PKM 114/4885
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 CHRM1 1/4885ALDH1A1 1148/4885PKM 1164/4885
US-20190256478-A1 1,3-DIHYDRO-1,4-BENZODIAZEPINE-2-THIONES FOR THE TREATMENT OF CNS RELATED DISEASES CHRM1, CHRM2, CHRM4 CHRM1 1/4885ALDH1A1 1148/4885PKM 1164/4885

“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.