SCHEMBL7380326

SCHEMBL7380326

CSC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.52
LMNA P02545 1/20 0.52
DRD3 P35462 2/20 0.49
OPRK1 P41145 2/20 0.49
CYP3A4 P08684 2/20 0.49
SLC22A1 O15245 1/20 0.49
ABCB11 O95342 1/20 0.49
PDE4D Q08499 1/20 0.49
AURKA O14965 1/20 0.47
HTR1A P08908 1/20 0.45
HTR3A P46098 1/20 0.45
KCNH2 Q12809 1/20 0.45
GHSR Q92847 1/20 0.45
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL11078032 0.87 GABRA1 (0.50) LMNAOPRK1PDE4D
SCHEMBL11651359 0.84 CHRM1 (0.47) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL11086081 0.83 OPRK1 (0.50) CHRM1LMNAOPRK1PDE4DKCNH2
SCHEMBL30320290 0.82 LMNA (0.57) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL7380121 0.82 LMNA (0.57) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL7311280 0.81 CHRM1 (0.51) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL11610206 0.79 CHRM1 (0.51) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL28551700 0.79 CHRM1 (0.51) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL7307548 0.78 LMNA (0.50) CHRM1LMNADRD3OPRK1CYP3A4
SCHEMBL11826517 0.77 CHRM1 (0.47) CHRM1LMNADRD3OPRK1CYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20200181155-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 2020-06-11 US disclosed
US-20200062759-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 2020-02-27 US disclosed
US-10266534-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) 2019-04-23 US disclosed
US-20170197967-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 2017-07-13 US disclosed
EP-3160969-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) 2017-05-03 EP 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
US-4178378-A ANTIEPILEPTIC AGENT, TRANQUILIZER, AND ANTICONVULSANT CIBA-GEIGY CORPORATION (US) 1979-12-11 US disclosed
US-3946032-A Acetal derivatives of 6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine-1-carboxaldehyde CIBA-GEIGY CORPORATION (US) 1976-03-23 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 (7 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 746/4885LMNA 4775/4885DRD3 1168/4885
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 746/4885LMNA 4775/4885DRD3 1168/4885
US-20200181155-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 746/4885LMNA 4775/4885DRD3 1168/4885
US-20200062759-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 746/4885LMNA 4775/4885DRD3 1168/4885
US-10266534-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 746/4885LMNA 4775/4885DRD3 1168/4885
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 746/4885LMNA 4775/4885DRD3 1168/4885
US-20170197967-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 746/4885LMNA 4775/4885DRD3 1168/4885

“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.