SCHEMBL5130010

SCHEMBL5130010

O=C(Nc1ccc(N2CCN(c3[c]cccc3)CC2)cc1)C1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
ME3 Q16798 1/20 0.57
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
GRM4 Q14833 1/20 0.51
USP2 O75604 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NAMPT P43490 1/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PTPN1 P18031 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MALT1 Q9UDY8 1/20 0.47
MCHR1 Q99705 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5128509 0.99 ALDH1A1 (0.62) ALDH1A1ME3HPGDTSHRGRM4
SCHEMBL5132922 0.79 RAB9A (0.49) ALDH1A1HPGDTSHRNPSR1NAMPT
SCHEMBL5128547 0.74 MAPT (0.66) ALDH1A1HPGDGRM4MAPTKMT2A
SCHEMBL5132870 0.74 RAB9A (0.52) ALDH1A1HPGDTSHRNPSR1MAPT
SCHEMBL5128505 0.74 MAPT (0.65) ALDH1A1HPGDUSP2MAPTMEN1
SCHEMBL5131438 0.74 RAB9A (0.51) ALDH1A1HPGDTSHRNPSR1MAPT
SCHEMBL5132925 0.74 NAMPT (0.52) USP2NAMPTMAPTMEN1KMT2A
SCHEMBL5128351 0.74 NAMPT (0.51) ALDH1A1NAMPTMAPTMEN1KMT2A
SCHEMBL5131808 0.73 MAPT (0.70) ALDH1A1HPGDTSHRNAMPTMAPT
SCHEMBL5133100 0.73 ALDH1A1 (0.65) ALDH1A1USP2MAPTMEN1KMT2A

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 ALDH1A1 4060/4885ME3 4471/4885HPGD 3636/4885

“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.