SCHEMBL5133040

SCHEMBL5133040

COc1ccccc1C(=O)Nc1ccc(N2CC[N]CC2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
KCNK3 O14649 1/20 0.54
KCNK9 Q9NPC2 1/20 0.54
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
AHR P35869 1/20 0.54
GFER P55789 1/20 0.54
S1PR1 P21453 3/20 0.53
KDM4E B2RXH2 1/20 0.52
NPY2R P49146 2/20 0.52
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 1/20 0.51
TP53 P04637 2/20 0.51
TSHR P16473 2/20 0.51
LMNA P02545 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
SCHEMBL5133101 0.86 CRACR2A (0.56) MAPTSMN1; SMN2NPC1RAB9ANPY2R
SCHEMBL5131350 0.85 KDM4E (0.51) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5079901 0.81 NPY2R (0.79) CHRM5CHRM1CHRM3NPY2R
SCHEMBL11753819 0.76 BRPF1 (0.70) CHRM5CHRM1CHRM3KCNK3KCNK9
SCHEMBL5131965 0.73 RAB9A (0.60) CHRM5CHRM1CHRM3MAPTSMN1; SMN2
SCHEMBL30739719 0.73 MAPT (0.71) KCNK3KCNK9MAPTSMN1; SMN2NPC1
SCHEMBL4429130 0.73 MAPT (0.71) KCNK3KCNK9MAPTSMN1; SMN2NPC1
SCHEMBL13881041 0.73 KDM4E (0.55) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5464797 0.72 MEN1 (0.65) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL5549915 0.71 MEN1 (0.64) MAPTSMN1; SMN2NPC1RAB9AKDM4E

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 CHRM5 879/4885CHRM1 1006/4885CHRM3 780/4885

“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.