SCHEMBL7600532

SCHEMBL7600532

O=[N+]([O-])c1ccc(N2CCC(Nc3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 8/20 0.57
POLB P06746 4/20 0.57
LMNA P02545 2/20 0.57
GAA P10253 2/20 0.57
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
ALOX12 P18054 1/20 0.51
SIRT6 Q8N6T7 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB1 P08588 1/20 0.50
MCHR1 Q99705 1/20 0.49

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
SCHEMBL5534878 0.81 ME3 (0.47) ALDH1A1SMN1; SMN2MAPTPOLBCYP2C9
SCHEMBL16569912 0.81 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL7298691 0.80 MAPT (0.62) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL3635114 0.79 MAPT (0.65) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL12952781 0.78 SIRT6 (0.71) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL5725260 0.78 MAPT (0.57) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL242050 0.78 MAPT (0.59) ALDH1A1SMN1; SMN2MAPTPOLBGAA
Hydrochloric Acid SCHEMBL16569972 0.78 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL23650023 0.78 CA12 (0.67)
SCHEMBL5541176 0.78 CARM1 (0.47) ALDH1A1SMN1; SMN2MAPTL3MBTL1

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 4060/4885SMN1; SMN2 1972/4885MAPT 4559/4885

“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.