SCHEMBL9980653

SCHEMBL9980653

Cc1ccc(C(=O)C2CCNCC2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
CYP2D6 P10635 1/20 0.62
SLC18A3 Q16572 2/20 0.52
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.42
KHK P50053 1/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL8093410 0.89 SLC18A3 (0.58) KMT2AMEN1CYP2D6SLC18A3HDAC1
SCHEMBL29480726 0.81 MEN1 (0.54) KMT2AMEN1CYP2D6SLC18A3HRH3
SCHEMBL22003706 0.81 MEN1 (0.54) KMT2AMEN1CYP2D6SLC18A3HRH3
SCHEMBL9980865 0.81 SLC18A3 (0.55) KMT2AMEN1CYP2D6SLC18A3HRH3
Hydrochloric Acid SCHEMBL9222025 0.80 MEN1 (0.56) KMT2AMEN1CYP2D6HRH3
Hydrochloric Acid SCHEMBL16432204 0.80 MEN1 (0.56) KMT2AMEN1CYP2D6SLC18A3HRH3
SCHEMBL1582773 0.78 KMT2A (0.96) KMT2AMEN1CYP2D6ALDH1A1LMNA
SCHEMBL23407908 0.78 SCN1A (0.43) KMT2AMEN1CYP2D6HDAC1HDAC6
SCHEMBL13391178 0.78 MEN1 (0.50) KMT2AMEN1CYP2D6HRH3
SCHEMBL6371533 0.77 HDAC1 (0.50) KMT2AMEN1CYP2D6HDAC1HDAC6

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 KMT2A 3940/4885MEN1 3922/4885CYP2D6 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.