SCHEMBL19006747

SCHEMBL19006747

Fc1ccccc1C1=NCc2nncn2-c2ccc(Cl)cc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.73
PDE4D Q08499 3/20 0.73
PTAFR P25105 2/20 0.60
CYP3A4 P08684 3/20 0.54
DRD3 P35462 2/20 0.54
SLC22A1 O15245 1/20 0.54
ABCB11 O95342 1/20 0.54
HTR1A P08908 1/20 0.53
HTR3A P46098 1/20 0.53
KCNH2 Q12809 1/20 0.53
GHSR Q92847 1/20 0.53
GABRA1 P14867 2/20 0.49
GABRA5 P31644 2/20 0.49
GABRA2 P47869 2/20 0.49
GABRG2 P18507 1/20 0.49
HTR2A P28223 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
ADRA1A P35348 1/20 0.49
CHRM1 P11229 1/20 0.49

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
SCHEMBL11829115 0.89 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4DRD3
SCHEMBL11829109 0.89 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4DRD3
SCHEMBL7435143 0.88 OPRK1 (0.76) OPRK1PDE4DPTAFRGABRA1GABRA5
SCHEMBL11183101 0.86 PTAFR (0.60) OPRK1PDE4DPTAFRCYP3A4DRD3
Estazolam SCHEMBL28766 0.84 OPRK1 (1.00) OPRK1PDE4DKCNH2GABRA1GABRA5
Estazolam SCHEMBL29357458 0.84 OPRK1 (1.00) OPRK1PDE4DKCNH2GABRA1GABRA5
Midazolam SCHEMBL5677486 0.83 OPRK1 (0.73) OPRK1PDE4DPTAFRCYP3A4DRD3
SCHEMBL11824259 0.82 CYP3A4 (0.53) OPRK1PDE4DPTAFRCYP3A4DRD3
SCHEMBL11824262 0.82 CYP3A4 (0.53) OPRK1PDE4DPTAFRCYP3A4DRD3
SCHEMBL11729005 0.81 OPRK1 (0.57) OPRK1PDE4DPTAFRCYP3A4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2018-11-01 US disclosed
EP-3363801-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2018-08-22 EP disclosed
WO-2017101808-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2017-06-22 WO 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-20180312511-A1 SHORT-ACTING BENZODIAZEPINE DERIVATIVES, PREPARATION METHOD THEREFOR, AND USE THEREOF GABRA5, GABRA1, GABRA6 OPRK1 47/4885PDE4D 915/4885PTAFR 2089/4885

“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.