SCHEMBL2925580

SCHEMBL2925580

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C#N)cc3)CC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.67
GPR119 Q8TDV5 1/20 0.52
MGLL Q99685 1/20 0.47
KCNH2 Q12809 3/20 0.46

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
SCHEMBL2927374 1.00 HRH3 (0.67) HRH3GPR119MGLLKCNH2
SCHEMBL2924912 0.86 DPP4 (0.51) HRH3GPR119MGLL
SCHEMBL2924911 0.86 DPP4 (0.51) HRH3GPR119MGLL
SCHEMBL2929527 0.86 HRH3 (0.48) HRH3GPR119MGLL
SCHEMBL2929528 0.86 HRH3 (0.48) HRH3GPR119MGLL
SCHEMBL2929879 0.85 HRH3 (0.48) HRH3
SCHEMBL2929881 0.85 HRH3 (0.48) HRH3
SCHEMBL2927433 0.84 HRH3 (0.53) HRH3
SCHEMBL2927436 0.84 HRH3 (0.53) HRH3
SCHEMBL18318284 0.82 HRH3 (0.57) HRH3GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885GPR119 25/4885MGLL 4653/4885

“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.