SCHEMBL5129718

SCHEMBL5129718

CCc1ccccc1C(=O)Nc1ccc(N2CCN(c3[c]cccc3)CC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPY2R P49146 13/20 0.50
MTTP P55157 5/20 0.49
CHRM5 P08912 2/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL5127998 0.86 RAB9A (0.48) NPC1RAB9ASMN1; SMN2NPY2RMTTP
SCHEMBL5128549 0.82 NPY2R (0.62) NPY2R
SCHEMBL5084475 0.77 NPY2R (0.78) NPY2RMTTP
SCHEMBL5133101 0.70 CRACR2A (0.56) NPC1RAB9ASMN1; SMN2NPY2RMTTP
SCHEMBL5132870 0.70 RAB9A (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5131350 0.69 KDM4E (0.51) NPC1RAB9ASMN1; SMN2NPY2RMTTP
SCHEMBL5131438 0.69 RAB9A (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5131808 0.68 MAPT (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL5131781 0.68 NPY2R (0.62) NPY2R
SCHEMBL27348350 0.68 LMNA (0.66) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1

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 NPC1 3192/4885RAB9A 4269/4885SMN1; SMN2 1972/4885

“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.