SCHEMBL5024282

SCHEMBL5024282

CN1CCN(C(=O)[C@H]2CC[C@H](CN(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.53
HTR2A P28223 5/20 0.53
HTR7 P34969 2/20 0.45
LSS P48449 4/20 0.43
HTR2B P41595 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RORC P51449 1/20 0.42
HTT P42858 1/20 0.41
CNR1 P21554 2/20 0.41
EPHX2 P34913 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
SCHEMBL5024285 1.00 HTR2C (0.53) HTR2CHTR2AHTR7LSSHTR2B
SCHEMBL5025606 0.85 HTR2A (0.57) HTR2CHTR2AHTR7LSS
SCHEMBL5025632 0.82 TAS2R14 (0.52) HTR2CHTR2AHTR7LSS
SCHEMBL5025629 0.82 TAS2R14 (0.52) HTR2CHTR2AHTR7LSS
SCHEMBL5025758 0.82 MEN1 (0.60) SMN1; SMN2
SCHEMBL5025754 0.82 MEN1 (0.60) SMN1; SMN2
SCHEMBL5025654 0.80 HTR2A (0.56) HTR2CHTR2AHTR7LSS
SCHEMBL5025656 0.80 HTR2A (0.56) HTR2CHTR2AHTR7LSS
SCHEMBL5025542 0.80 LSS (0.44) HTR2CHTR2AHTR7LSSHTR2B
SCHEMBL5025543 0.80 LSS (0.44) HTR2CHTR2AHTR7LSSHTR2B

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 2 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
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 HTR2C 3153/4885HTR2A 2948/4885HTR7 3387/4885

“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.