SCHEMBL2929527

SCHEMBL2929527

CC(C)N1CCN(C(=O)C2CCC(Oc3ccc(C#N)nc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.48
LMNA P02545 2/20 0.43
GPR119 Q8TDV5 2/20 0.41
POLB P06746 1/20 0.41
ACACB O00763 1/20 0.41
MGLL Q99685 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2929528 1.00 HRH3 (0.48) HRH3LMNAGPR119POLBACACB
SCHEMBL2927374 0.86 HRH3 (0.67) HRH3GPR119MGLL
SCHEMBL2925580 0.86 HRH3 (0.67) HRH3GPR119MGLL
SCHEMBL2931713 0.83 HRH3 (0.50) HRH3
SCHEMBL2931715 0.83 HRH3 (0.50) HRH3
SCHEMBL2925951 0.82 HRH3 (0.62) HRH3LMNAGPR119MAPTKMT2A
SCHEMBL2925949 0.82 HRH3 (0.62) HRH3LMNAGPR119MAPTKMT2A
SCHEMBL2924911 0.81 DPP4 (0.51) HRH3GPR119ACACBMGLL
SCHEMBL2924912 0.81 DPP4 (0.51) HRH3GPR119ACACBMGLL
SCHEMBL3863105 0.81 HRH3 (0.62) HRH3MAPTKMT2A

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 1/4885LMNA 2554/4885GPR119 25/4885

“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.