SCHEMBL9980798

SCHEMBL9980798

OC1CCCN(Cc2ccc(F)cc2)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
HTT P42858 1/20 0.54
LTA4H P09960 1/20 0.53
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC18A3 Q16572 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL3887454 0.90 ALDH1A1 (0.57) ALDH1A1LTA4HSLC18A3SIGMAR1BCHE
SCHEMBL1427979 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL4592570 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL1955800 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL4592170 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL16121539 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL1427977 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL8251471 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL20160542 0.84 ALDH1A1 (0.71) ALDH1A1HTTLTA4HTSHRKDM4E
SCHEMBL1552926 0.83 ALDH1A1 (1.00) ALDH1A1HTTLTA4HTSHRKDM4E

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 ALDH1A1 1548/4885HTT 1224/4885LTA4H 2341/4885

“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.