SCHEMBL26099482

SCHEMBL26099482

Cn1nnc(-c2ccc(Cl)cc2F)c1Cn1ncc(N2CC3(CCC(F)CO3)C2)cc1=O

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.30
PDE2A O00408 1/20 0.30
SIGMAR1 Q99720 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
SCHEMBL24034803 1.00 MCHR1 (0.30) MCHR1PDE2ASIGMAR1
SCHEMBL24034782 0.92 MAPK1 (0.30)
SCHEMBL26096322 0.92 MAPK1 (0.30)
SCHEMBL24034804 0.92 MAPK1 (0.30)
SCHEMBL24034693 0.89 MCHR1 (0.33) MCHR1PDE2ASIGMAR1
SCHEMBL24034757 0.87 MCHR1 (0.33) MCHR1SIGMAR1
SCHEMBL24034879 0.86 MCHR1 (0.30) MCHR1SIGMAR1
SCHEMBL26096115 0.86 MCHR1 (0.30) MCHR1SIGMAR1
SCHEMBL24034683 0.86 MCHR1 (0.30) MCHR1SIGMAR1
SCHEMBL24034777 0.85 MAPK1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US 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-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRA3, GABRB3 MCHR1 452/4885PDE2A 323/4885SIGMAR1 145/4885

“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.