SCHEMBL4004973

SCHEMBL4004973

OC(c1ccccc1)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 1/20 0.42
PSMB8 P28062 1/20 0.41
BCHE P06276 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
XDH P47989 1/20 0.39

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
SCHEMBL24621150 0.85 SMN1; SMN2 (0.56) HPGDNPC1RAB9AMAPTGAA
SCHEMBL11800389 0.78 RAB9A (0.42) HPGDNPC1RAB9AMAPTGAA
SCHEMBL10480315 0.78 MAPT (0.46) HPGDNPC1RAB9AMAPTGAA
SCHEMBL10860706 0.77 RAB9A (0.44) HPGDNPC1RAB9AMAPTGAA
SCHEMBL23424733 0.76 S1PR1 (0.46) NPC1RAB9AMAPTGAASMN1; SMN2
SCHEMBL11513888 0.76 HPGD (0.50) HPGDNPC1RAB9AMAPTGAA
SCHEMBL11638255 0.76 MAOA (0.55) HPGDNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11638602 0.76 GAA (0.55) GAAALDH1A1
SCHEMBL6462282 0.76 NPC1 (0.38) HPGDNPC1RAB9AMAPTGAA
SCHEMBL17898133 0.75 MAPT (0.43) HPGDNPC1RAB9AMAPTGAA

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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2012-05-24 US disclosed
WO-2009079597-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-06-25 WO 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-20120129870-A1 PIPERAZINYL DERIVATIVES USEFUL AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY1R, NPY5R HPGD 768/4885NPC1 2560/4885RAB9A 2260/4885

“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.