SCHEMBL2969718

SCHEMBL2969718

CC1=NCC2CN=C(c3ccccc3F)c3cc(Cl)ccc3N12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.54
OPRK1 P41145 3/20 0.54
DRD3 P35462 2/20 0.54
PDE4D Q08499 2/20 0.54
SLC22A1 O15245 1/20 0.54
ABCB11 O95342 1/20 0.54
HTR1A P08908 1/20 0.48
HTR3A P46098 1/20 0.48
KCNH2 Q12809 1/20 0.48
GHSR Q92847 1/20 0.48
LMNA P02545 2/20 0.44
CHRM1 P11229 1/20 0.44
CCKBR P32239 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
HTR2A P28223 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
ADRA1A P35348 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
SCHEMBL7313742 0.88 OPRK1 (0.54) OPRK1PDE4DLMNAGABRA1GABRG2
SCHEMBL7351309 0.86 CCKBR (0.42) OPRK1CCKBR
SCHEMBL11538446 0.85 CYP3A4 (0.49) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL7317188 0.85 OPRK1 (0.50) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL7305688 0.84 OPRK1 (0.55) OPRK1PDE4DKCNH2LMNAGABRA1
SCHEMBL7313961 0.84 TP53 (0.40) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL7381138 0.82 CYP3A4 (0.48) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL7383459 0.82 CCKBR (0.41) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL11541903 0.81 CHRM1 (0.49) CYP3A4OPRK1DRD3PDE4DSLC22A1
SCHEMBL11546114 0.81 LMNA (0.49) CYP3A4OPRK1DRD3PDE4DSLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776852-B2 Process for producing highly pure midazolam and salts thereof CHEMAGIS LTD. (IL) 2010-08-17 US disclosed
US-7776852-B2 Process for producing highly pure midazolam and salts thereof CHEMAGIS LTD. (IL) 2010-08-17 US disclosed
US-7776852-B2 Process for producing highly pure midazolam and salts thereof CHEMAGIS LTD. (IL) 2010-08-17 US disclosed
US-20090069306-A1 PROCESS FOR PRODUCING HIGHLY PURE MIDAZOLAM AND SALTS THEREOF CHEMAGIS LTD. (IL) 2009-03-12 US disclosed
US-20090069306-A1 PROCESS FOR PRODUCING HIGHLY PURE MIDAZOLAM AND SALTS THEREOF CHEMAGIS LTD. (IL) 2009-03-12 US disclosed
US-20090069306-A1 PROCESS FOR PRODUCING HIGHLY PURE MIDAZOLAM AND SALTS THEREOF CHEMAGIS LTD. (IL) 2009-03-12 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-4368157-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
US-RE30473-E ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1981-01-06 US disclosed
US-4105852-A ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES HOFFMANN-LA ROCHE INC. (US) 1978-08-08 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-20090069306-A1 PROCESS FOR PRODUCING HIGHLY PURE MIDAZOLAM AND SALTS THEREOF CYP3A4, CYP3A43, CYP3A5 CYP3A4 1/4885OPRK1 115/4885DRD3 210/4885

“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.