SCHEMBL30202074

SCHEMBL30202074

NN=C1CN=C(c2c(F)cccc2F)c2c(Cl)cccc2N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 5/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR3A P46098 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36

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
SCHEMBL30201963 0.88 HTR5A (0.35) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL30202043 0.83 GABRA1 (0.32) HTR5AGABRA1GABRA5GABRA3GABRA2
SCHEMBL30202021 0.83 CHRM1 (0.32) HTR5ACHRM1LMNA
SCHEMBL23927174 0.80 GABRA1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23927158 0.80 CHRM1 (0.50) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL30202119 0.74 CHRM1 (0.53) HTR5AGABRPGABRDGABRA1GABRB1
SCHEMBL30202107 0.73 HTR1A (0.32) HTR5AHTR1AHTR1DHTR2AHTR2C
SCHEMBL30201971 0.72 CHRM1 (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL30241894 0.71 ADRA2A (0.41) HTR1AHTR2AHTR2CHTR7MEN1
SCHEMBL28989167 0.71 ADRA2A (0.41) HTR1AHTR2AHTR2CHTR7MEN1

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
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

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 HTR5A 361/4885HTR1A 174/4885HTR1D 129/4885

“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.