SCHEMBL23927136

SCHEMBL23927136

OCc1nnc2n1-c1ccc(Br)c(Cl)c1C(c1c(F)cccc1F)=NC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
OPRK1 P41145 3/20 0.36
HPGD P15428 3/20 0.36
PTAFR P25105 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
GABRA1 P14867 5/20 0.33
GABRA5 P31644 5/20 0.33
GABRA2 P47869 5/20 0.33
GABRB2 P47870 4/20 0.33
GABRA3 P34903 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BRD4 O60885 1/20 0.31
LMNA P02545 1/20 0.31
CNR1 P21554 1/20 0.31
GABRG2 P18507 1/20 0.30
HTR2A P28223 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL30202046 1.00 CYP3A4 (0.37) CYP3A4OPRK1HPGDPTAFRTDP1
SCHEMBL23952873 0.90 OPRK1 (0.36) OPRK1HPGDPTAFRTDP1GABRA1
Hydrochloric Acid SCHEMBL30201924 0.89 OPRK1 (0.36) OPRK1HPGDPTAFRTDP1GABRA1
Hydrochloric Acid SCHEMBL23927141 0.89 OPRK1 (0.36) OPRK1HPGDPTAFRTDP1GABRA1
SCHEMBL23904659 0.86 CYP3A4 (0.36) CYP3A4OPRK1HPGDPTAFRGABRA1
SCHEMBL30201940 0.84 GABRA1 (0.48) OPRK1HPGDPTAFRGABRA1GABRA5
SCHEMBL23927145 0.84 GABRA1 (0.48) OPRK1HPGDPTAFRGABRA1GABRA5
SCHEMBL30202120 0.81 TDP1 (0.34) PTAFRTDP1GABRA1GABRA5GABRA2
SCHEMBL23927131 0.81 TDP1 (0.34) PTAFRTDP1GABRA1GABRA5GABRA2
SCHEMBL23927220 0.81 MAPK1 (0.39) CYP3A4OPRK1HPGDPTAFRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP claimed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US claimed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP claimed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN claimed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO claimed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP claimed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
US-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US disclosed
EP-4139310-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2023-03-01 EP disclosed
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
WO-2021213952-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-10-28 WO disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
EP-3901155-A1 NEW BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM F. Hoffmann-La Roche AG (CH) 2021-10-27 EP 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-20230141603-A1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM GABRA1, GABRB1, GABRB3 CYP3A4 237/4885OPRK1 68/4885HPGD 2405/4885

“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.