SCHEMBL2926334

SCHEMBL2926334

O=C1CCCN1c1ccc(O[C@H]2CC[C@H](C(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.60
KCNH2 Q12809 5/20 0.53
HRH1 P35367 2/20 0.53
CYP2D6 P10635 1/20 0.49

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
SCHEMBL2926332 1.00 HRH3 (0.60) HRH3KCNH2HRH1CYP2D6
SCHEMBL2926356 0.86 HRH3 (0.52) HRH3KCNH2HRH1CYP2D6
SCHEMBL2926358 0.86 HRH3 (0.52) HRH3KCNH2HRH1CYP2D6
SCHEMBL2923294 0.84 HRH3 (0.54) HRH3
SCHEMBL2923295 0.84 HRH3 (0.54) HRH3
SCHEMBL2927127 0.84 HRH3 (0.48) HRH3KCNH2HRH1CYP2D6
SCHEMBL2927128 0.84 HRH3 (0.48) HRH3KCNH2HRH1CYP2D6
SCHEMBL14006593 0.82 HRH3 (0.72) HRH3KCNH2HRH1CYP2D6
SCHEMBL2924527 0.82 HRH3 (0.52) HRH3
SCHEMBL1507063 0.82 HRH3 (0.53) HRH3KCNH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US claimed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US claimed
EP-2158189-B1 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2158189-A1 CYCLOHEXYL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-03-03 EP disclosed
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
WO-2008151957-A9 CYCLOHEXYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-03-05 WO disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 US disclosed
WO-2008151957-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-18 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-20090005380-A1 CYCLOHEXYL DERIVATIVES HRH3, HRH4, HCAR2 HRH3 1/4885KCNH2 824/4885HRH1 4/4885

“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.