SCHEMBL9980650

SCHEMBL9980650

OC1CCNCC1N1CC[CH]CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 9/20 0.56
HTR6 P50406 1/20 0.32
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
SCHEMBL9980920 0.85 SLC18A3 (0.56) SLC18A3CYP2D6CYP1A2CYP2C9TSHR
SCHEMBL2203412 0.82 SLC18A3 (0.57) SLC18A3HTR6
SCHEMBL2203410 0.82 SLC18A3 (0.57) SLC18A3HTR6
SCHEMBL2203407 0.82 SLC18A3 (0.57) SLC18A3HTR6
SCHEMBL9980751 0.81 SLC18A3 (0.55) SLC18A3HTR6
Hydrochloric Acid SCHEMBL2201097 0.81 SLC18A3 (0.55) SLC18A3HTR6TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2201100 0.81 SLC18A3 (0.55) SLC18A3HTR6TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2201095 0.81 SLC18A3 (0.55) SLC18A3HTR6TSHRSMN1; SMN2
SCHEMBL24635571 0.78 SLC18A3 (0.56) SLC18A3HTR6CYP2D6CYP1A2CYP2C9
SCHEMBL24635570 0.78 SLC18A3 (0.56) SLC18A3HTR6CYP2D6CYP1A2CYP2C9

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 248/4885HTR6 83/4885CYP2D6 548/4885

“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.