SCHEMBL9980920

SCHEMBL9980920

OC1CNCCC1N1CC[CH]CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.56
KCNH2 Q12809 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.31
CYP2D6 P10635 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9980650 0.85 SLC18A3 (0.56) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL9980744 0.81 SLC18A3 (0.55) SLC18A3MAN1B1
SCHEMBL27715052 0.76 SLC18A3 (0.45) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL8438595 0.73 SLC18A3 (0.79) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL4542492 0.72 HTR6 (0.50) SMN1; SMN2
SCHEMBL27714892 0.72 SLC18A3 (0.63) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL28983623 0.72 SLC18A3 (0.57) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2372921 0.71 SLC18A3 (0.47) SLC18A3KCNH2
SCHEMBL2373286 0.71 SLC18A3 (0.47) SLC18A3KCNH2
SCHEMBL27695065 0.71 POLB (0.34) SLC18A3

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-8658131-B2 Compounds comprising 4-benzoylpiperidine as a sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2014-02-25 US disclosed
US-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand WASHINGTON UNIVERSITY (US) 2011-12-22 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-20110311447-A1 Compounds comprising 4-benzoylpiperidine as a Sigma-1-selective ligand SIGMAR1, TMEM97, OPRM1 SLC18A3 248/4885KCNH2 788/4885MAN1B1 875/4885

“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.