SCHEMBL5132870

SCHEMBL5132870

CC(C)c1ccccc1C(=O)Nc1ccc(N2CCN(c3[c]cccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.52
NPC1 O15118 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
TSHR P16473 2/20 0.52
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPK1 P28482 3/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TP53 P04637 2/20 0.49
MCL1 Q07820 1/20 0.49
LMNA P02545 2/20 0.48
AHR P35869 1/20 0.48
GFER P55789 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL5131438 0.85 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL5133100 0.84 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5131808 0.84 MAPT (0.70) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL5132922 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TSHRMAPT
SCHEMBL5128505 0.79 MAPT (0.65) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5128351 0.79 NAMPT (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5133175 0.78 HSD17B10 (0.47) SMN1; SMN2TSHRMAPTALDH1A1GAA
SCHEMBL5128547 0.77 MAPT (0.66) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL5132925 0.76 NAMPT (0.52) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL5130010 0.74 ALDH1A1 (0.60) SMN1; SMN2TSHRMAPTALDH1A1NPSR1

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 RAB9A 4269/4885NPC1 3192/4885SMN1; 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.