SCHEMBL2923334

SCHEMBL2923334

O=C([C@H]1CC[C@H](Oc2ccc(Cl)cn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.52
KCNH2 Q12809 5/20 0.52
TACR3 P29371 1/20 0.49
NAMPT P43490 2/20 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
SCHEMBL2923332 1.00 HRH3 (0.52) HRH3KCNH2TACR3NAMPT
SCHEMBL2926931 1.00 HRH3 (0.52) HRH3KCNH2TACR3NAMPT
SCHEMBL2927206 0.84 DPP4 (0.52) HRH3KCNH2NAMPT
SCHEMBL2927210 0.84 DPP4 (0.52) HRH3KCNH2NAMPT
SCHEMBL2924457 0.83 HRH3 (0.52) HRH3TACR3NAMPT
SCHEMBL2924458 0.83 HRH3 (0.52) HRH3TACR3NAMPT
SCHEMBL2923782 0.83 GPR119 (0.56) HRH3KCNH2NAMPT
SCHEMBL2923786 0.83 GPR119 (0.56) HRH3KCNH2NAMPT
SCHEMBL2927713 0.82 HRH3 (0.55) HRH3KCNH2NAMPT
SCHEMBL2929616 0.82 HRH3 (0.47) HRH3KCNH2NAMPT

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 HRH3 1/4885KCNH2 824/4885TACR3 431/4885

“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.