SCHEMBL5131350

SCHEMBL5131350

CC(C)c1ccccc1C(=O)Nc1ccc(N2CC[N]CC2)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
NPY2R P49146 13/20 0.51
MTTP P55157 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL5133101 0.88 CRACR2A (0.56) NPY2RMTTPNPC1RAB9ASMN1; SMN2
SCHEMBL5133040 0.85 CHRM5 (0.58) KDM4ENPY2RNPC1RAB9ASMN1; SMN2
SCHEMBL5083802 0.79 NPY2R (0.80) NPY2RMTTP
SCHEMBL5133152 0.76 KDM4E (0.52) KDM4ENPY2RNPC1RAB9ASMN1; SMN2
SCHEMBL5131965 0.75 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5131900 0.71 NPY2R (0.56) KDM4ENPY2R
SCHEMBL3657655 0.71 NPY2R (0.63) NPY2RMTTP
SCHEMBL1173912 0.70 NPY2R (0.65) NPY2RMTTPHTTMAPT
SCHEMBL5083818 0.69 NPY2R (0.80) NPY2RMTTP
SCHEMBL5129718 0.69 NPC1 (0.52) KDM4ENPY2RMTTPNPC1RAB9A

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-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US 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 1365/4885NPY2R 1/4885MTTP 4141/4885

“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.