SCHEMBL26200345

SCHEMBL26200345

CCc1cc(F)cc(Br)c1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PKM P14618 1/20 0.30
HTR2A P28223 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
SCHEMBL286513 0.81 CYP4F2 (0.33) HTR2A
SCHEMBL23536611 0.80 IMPDH2 (0.33) AGTR1ALDH1A1SMN1; SMN2HTR2A
SCHEMBL30014250 0.80 GABRA1 (0.34) GABRA1GABRB2PKMHTR2A
SCHEMBL10717222 0.80 GABRA1 (0.34) GABRA1GABRB2PKMHTR2A
SCHEMBL8357239 0.78 AGTR1 (0.36) AGTR1ALDH1A1SMN1; SMN2
SCHEMBL18133370 0.77 RIPK1 (0.37) ALDH1A1SMN1; SMN2PKM
SCHEMBL11138242 0.77 HTT (0.38) GABRA1GABRB2ALDH1A1
SCHEMBL19507340 0.77 GABRA1 (0.50) GABRA1GABRB2
SCHEMBL20614207 0.74 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL15715518 0.74 HTR2A (0.48) ALDH1A1SMN1; SMN2HTR2A

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-20230271973-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS CENTESSA PHARMACEUTICALS (OREXIA) LIMITED (GB) 2023-08-31 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-20230271973-A1 BICYCLIC-HETEROCYCLE DERIVATIVES AND THEIR USES AS OREXIN-2 RECEPTOR AGONISTS HCRTR2, HCRTR1, CRHR2 AGTR1 320/4885GABRA1 123/4885GABRB2 109/4885

“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.