SCHEMBL9980816

SCHEMBL9980816

Cn1ccc(C(=O)C2CCNCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2D6 P10635 1/20 0.55
SLC18A3 Q16572 2/20 0.52
HRH3 Q9Y5N1 1/20 0.40
KHK P50053 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
TSHR P16473 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37

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
SCHEMBL7885624 0.82 SLC18A3 (0.64) MEN1KMT2ASLC18A3HRH3
SCHEMBL9980675 0.78 MEN1 (0.56) MEN1KMT2ACYP2D6SLC18A3HRH3
SCHEMBL9980687 0.78 SLC18A3 (0.56) MEN1KMT2ASLC18A3
SCHEMBL408283 0.74 MEN1 (0.51) MEN1KMT2ACYP2D6HRH3WNT1
Hydrochloric Acid SCHEMBL440170 0.73 MEN1 (0.54) MEN1KMT2ACYP2D6HRH3WNT1
SCHEMBL1582773 0.73 KMT2A (0.96) MEN1KMT2ACYP2D6KHKTSHR
SCHEMBL27570958 0.72 SIGMAR1 (0.57) KMT2AHRH3GABRDGABRA1GABRB1
SCHEMBL408318 0.72 KMT2A (0.66) MEN1KMT2ACYP2D6SLC18A3HRH3
Hydrochloric Acid SCHEMBL2366330 0.71 KMT2A (1.00) MEN1KMT2ACYP2D6KHKTSHR
Bromide SCHEMBL10968871 0.71 KMT2A (0.93) MEN1KMT2ACYP2D6KHKTSHR

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 MEN1 3922/4885KMT2A 3940/4885CYP2D6 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.