SCHEMBL5025542

SCHEMBL5025542

COC(=O)[C@H]1CC[C@H](CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.44
HTR2C P28335 3/20 0.44
HTR2A P28223 2/20 0.44
NAMPT P43490 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
KMT2A Q03164 1/20 0.42
HTR7 P34969 1/20 0.42
RORC P51449 1/20 0.41
HTR2B P41595 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
MMP3 P08254 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
SCHEMBL5025543 1.00 LSS (0.44) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL5025629 0.87 TAS2R14 (0.52) LSSHTR2CHTR2AKMT2AHTR7
SCHEMBL5025632 0.87 TAS2R14 (0.52) LSSHTR2CHTR2AKMT2AHTR7
SCHEMBL5030115 0.85 LSS (0.46) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL5030114 0.85 LSS (0.46) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL5025552 0.83 LSS (0.52) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL5025555 0.83 LSS (0.52) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL6019432 0.83 HTR2C (0.51) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL6019428 0.83 HTR2C (0.51) LSSHTR2CHTR2ANAMPTTRPV4
SCHEMBL5026476 0.82 LSS (0.49) LSSHTR2CHTR2ANAMPTTRPV4

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 LSS 1/4885HTR2C 3153/4885HTR2A 2948/4885

“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.