SCHEMBL5801310

SCHEMBL5801310

NC(=O)C1Oc2[c]cccc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
IDO1 P14902 3/20 0.34
ALDH1A1 P00352 4/20 0.33
POLB P06746 2/20 0.33
BLM P54132 1/20 0.33
TDO2 P48775 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 3/20 0.30
MAPK1 P28482 2/20 0.30
BRPF1 P55201 1/20 0.30
CREBBP Q92793 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALOX15 P16050 2/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5800029 0.78 ATM (0.32) PARP1
SCHEMBL6071732 0.72 ALDH1A1 (0.38) IDO1ALDH1A1POLBBLMTDO2
SCHEMBL5799588 0.72 PARP1 (0.33) PARP1ALDH1A1HPGDHSD17B10MAPK1
SCHEMBL3252263 0.72 PARP1 (0.33) PARP1ALDH1A1HPGDUSP2
SCHEMBL14861248 0.67 CA2 (0.35)
SCHEMBL3342259 0.67 USP2 (0.32) CREBBPUSP2
SCHEMBL3342714 0.67
SCHEMBL1713375 0.66 ALOX5 (0.42) POLBALOX15MEN1MAPTKMT2A
SCHEMBL7977933 0.66
SCHEMBL6071807 0.65

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 4 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 claimed
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
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 PARP1 1800/4885IDO1 1121/4885ALDH1A1 1117/4885

“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.