SCHEMBL23927129

SCHEMBL23927129

Fc1cccc(F)c1C1=NCc2nnc(C3CCOCC3)n2-c2ccc(Cl)c(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.35
KCNH2 Q12809 2/20 0.34
HSD11B1 P28845 1/20 0.33
PTAFR P25105 1/20 0.32
PIK3CB P42338 1/20 0.31
PRKDC P78527 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
GABRA1 P14867 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA2 P47869 2/20 0.31
OPRL1 P41146 1/20 0.31
GABRG2 P18507 1/20 0.31
HTR2A P28223 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
PDE4D Q08499 1/20 0.31

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
SCHEMBL30201891 1.00 AVPR1A (0.35) AVPR1AKCNH2HSD11B1PTAFRPIK3CB
SCHEMBL30202120 0.83 TDP1 (0.34) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927131 0.83 TDP1 (0.34) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927221 0.83 PTAFR (0.35) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927223 0.83 PTAFR (0.35) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927209 0.80 SMN1; SMN2 (0.39) AVPR1AKCNH2PTAFRGABRA1GABRA5
SCHEMBL23927184 0.80 AVPR1A (0.36) AVPR1AKCNH2
SCHEMBL23927149 0.79 TDP1 (0.48) PTAFRGABRA1GABRA5GABRA2GABRG2
SCHEMBL23927183 0.79 PTAFR (0.50) PTAFRGABRA1GABRA5GABRA2GABRG2
SCHEMBL23927161 0.76 GABRA1 (0.40) PTAFRGABRA1GABRA5GABRA2GABRG2

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 11 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
CN-115667262-A Benzodiazepine derivatives as GABAA γ 1PAM 豪夫迈·罗氏有限公司 2023-01-31 CN 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
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
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 AVPR1A 161/4885KCNH2 363/4885HSD11B1 594/4885

“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.