SCHEMBL5080882

SCHEMBL5080882

CCNC(=O)C(c1ccccc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.50
OPRD1 P41143 2/20 0.49
HTR1E P28566 2/20 0.49
S1PR3 Q99500 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NPY2R P49146 3/20 0.48
MTTP P55157 1/20 0.47

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
SCHEMBL5049558 0.87 HTR1E (0.64) HTR1ES1PR3MEN1LMNAMAPT
SCHEMBL5049482 0.86 CYP1A2 (0.63) HTR1ES1PR3MEN1LMNAMAPT
SCHEMBL6994952 0.83 SLC6A2 (0.43) SMYD3OPRD1MEN1LMNAKMT2A
SCHEMBL5077966 0.81 KDM4E (0.53) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4678502 0.81 SLC6A3 (0.60) SMYD3OPRD1HTR1ES1PR3MEN1
SCHEMBL8193192 0.79 SLC6A2 (0.65) SMYD3OPRD1PKMLMNAMAPT
SCHEMBL13114874 0.79 CACNA2D1 (0.50) SMYD3OPRD1HTR1ES1PR3MEN1
SCHEMBL4537372 0.78 SLC6A3 (0.64) SMYD3LMNAKMT2ATSHRTDP1
SCHEMBL5838596 0.77 ADRA2A (0.50)
SCHEMBL6528518 0.76 CACNA2D1 (0.48) SMYD3OPRD1HTR1ES1PR3MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080387-A Process for the preparation of N- (4-piperidinyl) -N-ethyl-phenylacetamides from N-tert-butoxycarbonyl-4-oxopiperidine ASTRAZENECA AB (SE) 2007-11-28 CN claimed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R SMYD3 1978/4885OPRD1 120/4885HTR1E 95/4885

“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.