SCHEMBL3282830

SCHEMBL3282830

O=C(Nc1[c]ccc(C(F)(F)F)c1)[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
HTR2C P28335 2/20 0.41
PSMB8 P28062 2/20 0.41
KDR P35968 1/20 0.39
ROCK2 O75116 2/20 0.39
MEN1 O00255 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TERT O14746 1/20 0.38
ULK1 O75385 1/20 0.38
HDAC2 Q92769 1/20 0.38
SCN3A Q9NY46 2/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL3282834 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HTR2CPSMB8KDRROCK2
SCHEMBL3282828 1.00 SMN1; SMN2 (0.43) SMN1; SMN2HTR2CPSMB8KDRROCK2
SCHEMBL5551875 0.80 MEN1 (0.50) MEN1TSHRKMT2A
SCHEMBL5547801 0.80 MEN1 (0.53) MEN1TSHRKMT2A
SCHEMBL20094558 0.77 KDR (0.51) SMN1; SMN2HTR2CPSMB8KDRTERT
SCHEMBL21580333 0.77 SCN3A (0.52) PSMB8KDRMEN1KMT2AULK1
SCHEMBL20094557 0.77 KDR (0.51) SMN1; SMN2HTR2CPSMB8KDRTERT
SCHEMBL20094229 0.77 KDR (0.51) SMN1; SMN2HTR2CPSMB8KDRTERT
SCHEMBL4052121 0.77 CTSC (0.43) HTR2CPSMB8ROCK2TERTULK1
SCHEMBL5552001 0.76 MEN1 (0.46) MEN1TSHRKMT2A

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-7709501-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2010-05-04 US disclosed
US-20070149513-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2007-06-28 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-20070149513-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 SMN1; SMN2 2694/4885HTR2C 130/4885PSMB8 3333/4885

“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.