SCHEMBL26197364

SCHEMBL26197364

O=C(C1CCC1)N1CCC2(CC2)C1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.74
HRH3 Q9Y5N1 3/20 0.53
HSD11B1 P28845 6/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CHRNB3 Q05901 1/20 0.43
CHRNA6 Q15825 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRL1 P41146 2/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL19158899 0.92 GRM5 (0.62) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL12683549 0.89 GRM5 (0.69) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL22394198 0.87 GRM5 (0.63) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL17438776 0.83 OPRM1 (0.66) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL19158951 0.82 GRM5 (0.53) GRM5HRH3ALDH1A1TSHREPHX2
SCHEMBL24747258 0.81 GRM5 (0.56) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL17177147 0.81 GRM5 (0.59) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL18713241 0.80 GRM5 (0.58) GRM5HRH3HSD11B1ALDH1A1TSHR
SCHEMBL17439133 0.79 OPRL1 (0.71) GRM5HRH3HSD11B1OPRM1OPRL1
SCHEMBL26131005 0.79 GRM5 (0.53) GRM5HRH3HSD11B1ALDH1A1TSHR

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 GRM5 317/4885HRH3 23/4885HSD11B1 539/4885

“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.