SCHEMBL13362015

SCHEMBL13362015

CN1CCc2cc(N(C)C)c(S(=O)(=O)c3ccc(Cc4cc(F)cc(CF)c4)cc3)cc2CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR6 P50406 4/20 0.33
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MOGAT2 Q3SYC2 2/20 0.32
CA2 P00918 1/20 0.31
SIGMAR1 Q99720 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL5457597 0.94 USP2 (0.40) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5445721 0.90 USP2 (0.41) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5458495 0.89 USP2 (0.36) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL3323926 0.87 GPR52 (0.37) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5466786 0.87 SIGMAR1 (0.42) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5459252 0.87 HTR2A (0.37) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5448741 0.85 USP2 (0.39) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5452773 0.84 USP2 (0.42) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL14411990 0.84 HTR6 (0.43) USP2SMN1; SMN2HTR6HTR2AHTR2C
SCHEMBL5453002 0.84 USP2 (0.42) USP2SMN1; SMN2HTR6HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE USP2 2866/4885SMN1; SMN2 3760/4885HTR6 1/4885

“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.