SCHEMBL7328311

SCHEMBL7328311

Fc1ccccc1C1=NCC(=S)Nc2ccc(Cl)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 10/20 1.00
ALOX12 P18054 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
LMNA P02545 1/20 0.73
ALDH1A1 P00352 1/20 0.70
PKM P14618 1/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
CHRM5 P08912 1/20 0.57
GABRA1 P14867 2/20 0.55
GABRA5 P31644 2/20 0.55
GABRA3 P34903 2/20 0.55
GABRA2 P47869 2/20 0.55
GABRB2 P47870 2/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA4 P48169 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
SCHEMBL30320323 1.00 CHRM1 (1.00) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7322840 0.87 CHRM1 (0.77) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7324382 0.87 CHRM1 (0.77) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7330628 0.87 ALOX12 (1.00) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL11733109 0.85 CHRM1 (0.73) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7950385 0.85 CHRM1 (1.00) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
SCHEMBL7324283 0.85 CHRM1 (0.73) CHRM1ALOX12SMN1; SMN2LMNAALDH1A1
N-Desalkyl-2-Oxoquazepam SCHEMBL30730010 0.85 LMNA (1.00) CHRM1ALOX12SMN1; SMN2LMNACHRM5
N-Desalkyl-2-Oxoquazepam SCHEMBL30529978 0.85 LMNA (1.00) CHRM1ALOX12SMN1; SMN2LMNACHRM5
N-Desalkyl-2-Oxoquazepam SCHEMBL5177297 0.85 LMNA (1.00) CHRM1ALOX12SMN1; SMN2LMNACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028843-A Preparation method of 7-chloro-5- (2-fluorophenyl) -3H-1, 4-benzodiazepine-2-methylamine 北京益民药业有限公司 2020-12-04 CN claimed
US-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2026-02-12 US disclosed
CN-118043326-A Benzodiazepine derivatives as GABAA γ1 PAM 豪夫迈·罗氏有限公司 2024-05-14 CN disclosed
EP-4299126-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2024-01-03 EP disclosed
EP-3160969-B1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2023-09-13 EP disclosed
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2021-10-05 US disclosed
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2021-06-03 US disclosed
CN-112028843-A Preparation method of 7-chloro-5- (2-fluorophenyl) -3H-1, 4-benzodiazepine-2-methylamine 北京益民药业有限公司 2020-12-04 CN disclosed
CN-112028843-A Preparation method of 7-chloro-5- (2-fluorophenyl) -3H-1, 4-benzodiazepine-2-methylamine 北京益民药业有限公司 2020-12-04 CN disclosed
US-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2020-11-24 US disclosed
WO-2015200766-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-30 WO disclosed
EP-0801651-B1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-6174881-B1 USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING HOFFMAN-LA ROCHE INC. 2001-01-16 US disclosed
EP-0801651-A1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1997-10-22 EP disclosed
WO-1996020941-A1 HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS F. HOFFMANN-LA ROCHE AG (CH) 1996-07-11 WO disclosed
EP-0041242-B1 CARBAMOYLOXYAMINO-1,4-BENZODIAZEPINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-11 EP disclosed
US-4395409-A ANXIOLYTIC AGENT HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-26 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-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 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-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 CHRM1 746/4885ALOX12 3638/4885SMN1; SMN2 1974/4885
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 CHRM1 746/4885ALOX12 3638/4885SMN1; SMN2 1974/4885
US-20260042763-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM GABRB2, GABRB3, GABRB1 CHRM1 283/4885ALOX12 1699/4885SMN1; SMN2 954/4885
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 CHRM1 746/4885ALOX12 3638/4885SMN1; SMN2 1974/4885

“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.