SCHEMBL4453791

SCHEMBL4453791

C1CC[N]C(N2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
RAD52 P43351 1/20 0.33
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL946511 0.98 HTR6 (0.39) HTR6RAD52
SCHEMBL1647530 0.92 HTR6 (0.36) HTR6SMN1; SMN2
SCHEMBL6274716 0.86 HTR6 (0.37) HTR6
SCHEMBL286072 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL10891279 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL2229452 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL2569149 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL4712511 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL3658217 0.83 CYP2D6 (0.32) HTR6CHRM5
SCHEMBL6050828 0.83 CYP2D6 (0.32) HTR6CHRM5

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-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists TAJIMI MASAOMI 2009-08-20 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-20090209514-A1 Tetrahydro-Naphthalene Derivatives as Vanilloid Receptor Antagonists OPRL1, TRPV1, LTB4R HTR6 554/4885RAD52 2821/4885USP2 3239/4885

“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.