SCHEMBL5800319

SCHEMBL5800319

O=C(O)c1ccc(N2CCCCC2)c2ccncc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HTT P42858 3/20 0.56
HIPK2 Q9H2X6 1/20 0.50
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.43
CDC7 O00311 1/20 0.43
CDK9 P50750 1/20 0.43
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AKT1 P31749 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 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
SCHEMBL18394720 0.80 KDM4C (0.47) MAPTHTTHIPK2ALDH1A1SMN1; SMN2
SCHEMBL29664704 0.80 KDM4C (0.47) MAPTHTTHIPK2ALDH1A1SMN1; SMN2
SCHEMBL3612285 0.79 HTR6 (0.54) MAPTHTTALDH1A1SMN1; SMN2POLB
SCHEMBL28509680 0.79 KDM4C (0.49) MAPTHTTHIPK2ALDH1A1SMN1; SMN2
SCHEMBL11656262 0.78 KDM4C (0.53) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL20718586 0.74 HIPK2 (0.79) HIPK2POLBKDM4EGAAHSD17B10
SCHEMBL29200264 0.73 HIPK2 (0.77) HIPK2POLBKDM4EGAAHSD17B10
SCHEMBL4880595 0.71 MAPT (1.00) MAPTHTTALDH1A1SMN1; SMN2POLB
SCHEMBL30744882 0.71 KDM4E (0.61) MAPTHTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL4876412 0.71 AR (0.65) MAPTHTTHIPK2ALDH1A1POLB

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
WO-2006058338-A2 4 - PIPERIDINECARBOXAMIDE DERIVATIVES AS MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 WO disclosed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 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-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 MAPT 4590/4885HTT 2337/4885HIPK2 2767/4885

“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.