SCHEMBL285859

SCHEMBL285859

Cc1cc(OCC(C)C)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
CHRM1 P11229 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PRKCA P17252 1/20 0.39
PRKCE Q02156 1/20 0.39
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.36
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

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
SCHEMBL22799793 0.79 TSHR (0.35) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL9527387 0.79 L3MBTL1 (0.44) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL13479963 0.78
SCHEMBL6971473 0.76
SCHEMBL22961451 0.74 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL10200350 0.74 TRPM8 (0.45) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15871987 0.73 SMPD1 (0.48) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL24760035 0.72 CHRM3 (0.67) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL15872012 0.72 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM3CHRM1
SCHEMBL24760612 0.72 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM3CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect SHIONOGI & CO., LTD. (JP) 2023-02-14 US disclosed
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT SHIONOGI & CO., LTD. (JP) 2021-02-11 US disclosed
EP-2427457-B1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS HOFFMANN LA ROCHE (CH) 2013-07-17 EP disclosed
US-8357703-B2 Pyridines HOFFMANN-LA ROCHE INC. (US) 2013-01-22 US disclosed
EP-2427457-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
WO-2010127978-A1 ISOXAZOLE-PYRIDINE DERIVATIVES AS GABA MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO disclosed
US-20100286117-A1 PYRIDINES ROCHE PALO ALTO LLC 2010-11-11 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 (3 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-20100286117-A1 PYRIDINES GABRA5, GABRA1, GABRA4 CHRM2 162/4885CHRM4 116/4885CHRM5 42/4885
US-20210040117-A1 CONDENSED RING COMPOUNDS HAVING DOPAMINE D3 RECEPTOR ANTAGONISTIC EFFECT DRD3, DRD2, DRD1 CHRM2 126/4885CHRM4 194/4885CHRM5 285/4885
US-11578084-B2 Condensed ring compounds having dopamine D3 receptor antagonistic effect DRD3, DRD2, DRD1 CHRM2 126/4885CHRM4 194/4885CHRM5 285/4885

“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.