SCHEMBL5132004

SCHEMBL5132004

CCCCC(=O)Nc1ccc(N2CCN(C(C(=O)O)c3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 1/20 0.59
NPY2R P49146 2/20 0.58
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.52
TP53 P04637 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLA2G1B P04054 1/20 0.51
TSHR P16473 1/20 0.51
ATG4B Q9Y4P1 1/20 0.51
CNR1 P21554 2/20 0.50
CACNA1G O43497 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5132878 0.97 MAPT (0.66) MAPTSMN1; SMN2MAPK1KDM4ENPY2R
SCHEMBL5079992 0.91 NPY2R (0.71) MAPTSMN1; SMN2MAPK1KDM4ENPY2R
SCHEMBL5083788 0.88 NPY2R (0.70) MAPTSMN1; SMN2MAPK1KDM4ENPY2R
SCHEMBL5084490 0.84 NPY2R (0.74) MAPTSMN1; SMN2NPY2RKMT2ANPC1
SCHEMBL5131847 0.79 NPC1 (0.64) MAPTSMN1; SMN2NPY2RKMT2ANPC1
SCHEMBL22500269 0.78 SMN1; SMN2 (0.81) MAPTSMN1; SMN2MAPK1KDM4EKMT2A
SCHEMBL5080993 0.78 NPY2R (0.68) MAPTSMN1; SMN2KDM4ENPY2RKMT2A
SCHEMBL5081598 0.78 NPY2R (0.68) MAPTSMN1; SMN2NPY2RKMT2ANPC1
SCHEMBL22500330 0.77 SMN1; SMN2 (0.84) MAPTSMN1; SMN2MAPK1KDM4EKMT2A
SCHEMBL5130001 0.77 NPC1 (0.57) MAPTSMN1; SMN2NPY2RKMT2ANPC1

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 4559/4885SMN1; SMN2 1972/4885MAPK1 2114/4885

“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.