SCHEMBL6809989

SCHEMBL6809989

O=C(O)c1ncn2c1CN=C(c1ccccc1)c1cc(Cl)ccc1-2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.57
PDE4D Q08499 1/20 0.57
GABRG2 P18507 7/20 0.56
GABRB3 P28472 7/20 0.56
GABRA3 P34903 5/20 0.56
GABRA5 P31644 7/20 0.55
GABRA2 P47869 7/20 0.55
GABRA1 P14867 5/20 0.55
GABRA6 Q16445 3/20 0.55
GABRA4 P48169 2/20 0.55
GABRB2 P47870 4/20 0.54
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
CACNA1F O60840 1/20 0.54
ALB P02768 1/20 0.54
GABRB1 P18505 1/20 0.54
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
GABRE P78334 1/20 0.54
CACNA1D Q01668 1/20 0.54

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
SCHEMBL7313767 0.91 OPRK1 (0.55) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL7351846 0.89 GABRA5 (0.54) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL8422993 0.89 GABRG2 (0.58) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL7317878 0.89 GABRA2 (0.61) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL30730006 0.87 GABRG2 (0.56) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL7312439 0.87 GABRG2 (0.56) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL2844069 0.87 GABRG2 (0.56) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL7383286 0.86 GABRG2 (0.55) OPRK1PDE4DGABRG2GABRB3GABRA3
SCHEMBL2841060 0.86 GABRG2 (0.76) GABRG2GABRB3GABRA3GABRA5GABRA2
SCHEMBL13061776 0.86 GABRG2 (0.63) GABRG2GABRB3GABRA3GABRA5GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-04-29 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-4371468-A ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-02-01 US disclosed
US-4368157-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-4368159-A ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1983-01-11 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-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-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-20040082573-A1 Anxiolytic agents with reduced sedative and ataxic effects GABRA3, GABRA2, GABRA1 OPRK1 173/4885PDE4D 1042/4885GABRG2 14/4885

“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.