SCHEMBL5077966

SCHEMBL5077966

CCNC(=O)C(c1ccccc1)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
SCN5A Q14524 1/20 0.52
SCN9A Q15858 1/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
SIGMAR1 Q99720 1/20 0.51
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
DRD4 P21917 1/20 0.51
CCR8 P51685 1/20 0.51

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
SCHEMBL7501907 0.85 ABL1 (0.54) TSHRSIGMAR1ABL1RIN1
SCHEMBL5083782 0.85 ATM (0.55) KDM4ETSHRSIGMAR1ABL1RIN1
SCHEMBL5049558 0.85 HTR1E (0.64) TP53CYP1A2CYP3A4CYP2D6TSHR
Bromide SCHEMBL3141631 0.83 ATM (0.54) TSHRSIGMAR1ABL1RIN1
SCHEMBL5049482 0.83 CYP1A2 (0.63) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL5080882 0.81 SMYD3 (0.50) TP53CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL8406867 0.80 CCR8 (0.74) CYP2D6TSHRABL1RIN1CCR8
SCHEMBL7810400 0.78 ABL1 (0.56) ALDH1A1TSHRSIGMAR1ABL1RIN1
SCHEMBL9169763 0.77 CHRM4 (0.55) TSHRSIGMAR1ABL1RIN1DRD4
SCHEMBL13102940 0.77 DRD4 (0.78) KDM4ECYP2D6SIGMAR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 1365/4885ALDH1A1 4060/4885SCN5A 431/4885

“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.