SCHEMBL7307929

SCHEMBL7307929

Cc1ncc2n1-c1ccccc1C(c1ccccc1F)=NC2

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.77
SLC22A1 O15245 1/20 0.77
ABCB11 O95342 1/20 0.77
DRD3 P35462 1/20 0.77
OPRK1 P41145 1/20 0.77
PDE4D Q08499 1/20 0.77
PTAFR P25105 2/20 0.49
GABRA1 P14867 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
AURKA O14965 1/20 0.41
BRD4 O60885 1/20 0.40

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
SCHEMBL7309516 0.87 CYP3A4 (0.77) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL29735381 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL29480459 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL35061 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL5783371 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
SCHEMBL13320804 0.87 CYP3A4 (0.77) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL29565146 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL29357425 0.87 OPRK1 (1.00) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL1311204 0.86 OPRK1 (0.98) CYP3A4SLC22A1ABCB11DRD3OPRK1
Midazolam SCHEMBL41265 0.86 OPRK1 (0.98) CYP3A4SLC22A1ABCB11DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016186559-A1 METHOD FOR INVESTIGATING BLOOD-BRAIN BARRIER PROPERTIES AND BRAIN METABOLISM USING INSECT BRAINS QUIXOLABS AB (SE) 2016-11-24 WO disclosed
US-7235656-B2 Anxiolytic agents with reduced sedative and ataxic effects WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-06-26 US disclosed
US-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders WISYS TECHNOLOGY FOUNDATION, INC. (US) 2007-03-08 US disclosed
US-4440685-A MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS HOFFMANN-LA ROCHE INC. (US) 1984-04-03 US disclosed
US-4425272-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1984-01-10 US disclosed
US-4401597-A INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS HOFFMANN-LA ROCHE INC. (US) 1983-08-30 US disclosed
US-4390471-A INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS HOFFMANN-LA ROCHE INC. (US) 1983-06-28 US disclosed
US-4377523-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1983-03-22 US disclosed
US-4376075-A REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4376074-A ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed
US-4368157-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4368158-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 US disclosed
US-4349477-A IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349476-A IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4349475-A IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-OR PYRAZOLODIAZEPINES HOFFMANN-LA ROCHE INC. (US) 1982-09-14 US disclosed
US-4347365-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4347364-A INTERMEDIATES THEREFOR HOFFMANN-LA ROCHE INC. (US) 1982-08-31 US disclosed
US-4307237-A ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS HOFFMANN-LA ROCHE INC. (US) 1981-12-22 US disclosed
US-4280957-A Imidazodiazepines and processes therefor HOFFMANN-LA ROCHE INC. (US) 1981-07-28 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 (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-20070054881-A1 Orally active benzodiazepine derivatives and their salts; anticonvulsants with reduced hypnotic and muscle relaxant side effects; eating and psychological disorders GABRA3, GABRA6, GABRA4 CYP3A4 103/4885SLC22A1 1402/4885ABCB11 1351/4885

“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.