SCHEMBL2924912

SCHEMBL2924912

CC(C)N1CCN(C(=O)[C@H]2CC[C@H](Oc3ccc(C#N)cn3)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.51
DPP9 Q86TI2 2/20 0.51
DPP8 Q6V1X1 1/20 0.51
HRH3 Q9Y5N1 8/20 0.48
ACACB O00763 3/20 0.45
NAMPT P43490 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
MGLL Q99685 1/20 0.43
DGAT1 O75907 1/20 0.42
PRKAA2 P54646 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL2924911 1.00 DPP4 (0.51) DPP4DPP9DPP8HRH3ACACB
SCHEMBL2925580 0.86 HRH3 (0.67) HRH3GPR119MGLL
SCHEMBL2927374 0.86 HRH3 (0.67) HRH3GPR119MGLL
SCHEMBL2927206 0.84 DPP4 (0.52) DPP4DPP9DPP8HRH3NAMPT
SCHEMBL2927210 0.84 DPP4 (0.52) DPP4DPP9DPP8HRH3NAMPT
SCHEMBL2927073 0.84 NAMPT (0.46) HRH3NAMPTDGAT1
SCHEMBL2924458 0.84 HRH3 (0.52) HRH3NAMPT
SCHEMBL2927075 0.84 NAMPT (0.46) HRH3NAMPTDGAT1
SCHEMBL2924457 0.84 HRH3 (0.52) HRH3NAMPT
SCHEMBL3325879 0.82 DPP4 (0.52) DPP4PRKAA2IRAK4

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 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
US-7544683-B2 Cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-09 US disclosed
US-20090005380-A1 CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-01 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-20090005380-A1 CYCLOHEXYL DERIVATIVES HRH3, HRH4, HCAR2 DPP4 2321/4885DPP9 2602/4885DPP8 2855/4885

“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.