SCHEMBL5025656

SCHEMBL5025656

CN1CCC(N(C)C(=O)CC[C@H]2CC[C@H](CN(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.56
HTR2C P28335 6/20 0.56
KCNH2 Q12809 4/20 0.48
GPR119 Q8TDV5 3/20 0.48
HTR6 P50406 1/20 0.47
LSS P48449 5/20 0.44
HTR7 P34969 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CCR5 P51681 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
SCHEMBL5025654 1.00 HTR2A (0.56) HTR2AHTR2CKCNH2GPR119HTR6
SCHEMBL5025606 0.87 HTR2A (0.57) HTR2AHTR2CKCNH2GPR119HTR6
SCHEMBL5026480 0.83 LSS (0.49) HTR2AHTR2CLSSHTR7
SCHEMBL5026476 0.83 LSS (0.49) HTR2AHTR2CLSSHTR7
SCHEMBL5026631 0.81 LSS (0.48) HTR2AHTR2CKCNH2GPR119LSS
SCHEMBL5026634 0.81 LSS (0.48) HTR2AHTR2CKCNH2GPR119LSS
SCHEMBL5024282 0.80 HTR2C (0.53) HTR2AHTR2CLSSHTR7
SCHEMBL5024285 0.80 HTR2C (0.53) HTR2AHTR2CLSSHTR7
SCHEMBL5030114 0.79 LSS (0.46) HTR2AHTR2CLSSHTR7
SCHEMBL5030115 0.79 LSS (0.46) HTR2AHTR2CLSSHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442791-B2 Aminoalkylamide substituted cyclohexyl derivatives HOFFMANN-LA ROCHE INC. (US) 2008-10-28 US disclosed
EP-1667962-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-14 EP disclosed
WO-2005028427-A1 AMINOALKYLAMIDE SUBSTITUTED CYCLOHEXYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-03-31 WO disclosed
US-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives F. HOFFMANN-LA ROCHE AG (CH) 2005-03-24 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-20050065210-A1 Aminoalkylamide substituted cyclohexyl derivatives LSS, CYP51A1, CYP46A1 HTR2A 2948/4885HTR2C 3153/4885KCNH2 501/4885

“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.