SCHEMBL24034690

SCHEMBL24034690

Cn1nnc(-c2ccc(C(F)(F)F)cc2F)c1Cn1ncc(N2CC(OC3CCC3)C2)cc1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
MAPK14 Q16539 1/20 0.33
CYP11B1 P15538 13/20 0.33
CYP11B2 P19099 13/20 0.33
PDE2A O00408 2/20 0.32
GRM2 Q14416 1/20 0.30
PKM P14618 1/20 0.30
PKLR P30613 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
SCHEMBL24034811 0.90 MCHR1 (0.34) MCHR1MAPK14CYP11B1CYP11B2PDE2A
SCHEMBL24034805 0.90 MCHR1 (0.34) MCHR1MAPK14CYP11B1CYP11B2PDE2A
SCHEMBL26097386 0.89 MCHR1 (0.34) MCHR1MAPK14CYP11B1CYP11B2PDE2A
SCHEMBL26097337 0.89 MCHR1 (0.34) MCHR1MAPK14CYP11B1CYP11B2PDE2A
SCHEMBL24034840 0.89 MCHR1 (0.34) MCHR1PDE2AGRM2
SCHEMBL28906127 0.88 MCHR1 (0.34) MCHR1CYP11B1CYP11B2PDE2A
SCHEMBL26097293 0.88 MCHR1 (0.33) MCHR1CYP11B1CYP11B2PDE2A
SCHEMBL24034896 0.85
SCHEMBL30111757 0.85 MCHR1 (0.33) MCHR1PDE2A
SCHEMBL24034813 0.85 FEN1 (0.35) MCHR1CYP11B1CYP11B2PDE2AGRM2

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-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP claimed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US claimed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP claimed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN claimed
EP-4149933-B1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN LA ROCHE (CH) 2024-06-12 EP disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230135093-A1 TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
EP-4149933-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2023-03-22 EP disclosed
CN-115461337-A Novel triazolyl derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2022-12-09 CN disclosed
WO-2021228795-A1 NEW TRIAZOLYL DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2021-11-18 WO 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 452/4885MAPK14 4575/4885CYP11B1 1285/4885

“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.