SCHEMBL5131808

SCHEMBL5131808

COc1ccccc1C(=O)Nc1ccc(N2CCN(c3[c]cccc3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
NPC1 O15118 2/20 0.70
GFER P55789 2/20 0.70
AHR P35869 1/20 0.70
LMNA P02545 1/20 0.69
TP53 P04637 3/20 0.67
ALDH1A1 P00352 3/20 0.67
HPGD P15428 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TSHR P16473 3/20 0.64
MAPK1 P28482 2/20 0.64
KMT2A Q03164 4/20 0.55
GAA P10253 1/20 0.54
MEN1 O00255 3/20 0.53
HCRTR1 O43613 1/20 0.53
NAMPT P43490 1/20 0.53
LCK P06239 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL5132870 0.84 RAB9A (0.52) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL5131438 0.83 RAB9A (0.51) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL21682935 0.78 MAPT (0.70) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL5132922 0.78 RAB9A (0.49) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL5128505 0.77 MAPT (0.65) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5133100 0.76 ALDH1A1 (0.65) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5080856 0.76 NPY2R (0.77) MAPTRAB9ASMN1; SMN2NPC1GFER
SCHEMBL5128547 0.76 MAPT (0.66) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL5132925 0.75 NAMPT (0.52) MAPTRAB9ASMN1; SMN2NPC1TP53
SCHEMBL5842541 0.73 KCNK3 (0.68) MAPTRAB9ASMN1; SMN2NPC1GFER

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 MAPT 4559/4885RAB9A 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.