SCHEMBL23927186

SCHEMBL23927186

Fc1cccnc1C1=NCC(=S)Nc2ccc(C(F)(F)F)c(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.43
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
P2RX7 Q99572 1/20 0.31
GRM4 Q14833 1/20 0.31
LMNA P02545 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL23927200 0.87 LMNA (0.43) SCN5ASCN9AP2RX7LMNA
SCHEMBL23927151 0.87 CHRM1 (0.46) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL23927211 0.85 CHRM1 (0.47) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL30202048 0.85 CHRM1 (0.45) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL23927135 0.85 CHRM1 (0.45) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL30202003 0.84 CHRM1 (0.60) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL23927112 0.84 CHRM1 (0.60) CHRM1ALDH1A1PKMHTTNPSR1
SCHEMBL30203031 0.81 ADRA1A (0.38) HTTSCN5ASCN9AP2RX7GRM4
SCHEMBL28989140 0.81 ADRA1A (0.38) HTTSCN5ASCN9AP2RX7GRM4
SCHEMBL28989135 0.78 SCN5A (0.33) SCN5ASCN9AP2RX7GRM4TRPV1

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 5 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 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
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 CHRM1 58/4885ALDH1A1 600/4885PKM 689/4885

“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.