SCHEMBL5801416

SCHEMBL5801416

CCOC(=O)c1c(C)nn(-c2ccc(N)cn2)c1C

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.69
KDM4E B2RXH2 2/20 0.64
MAPT P10636 2/20 0.64
PDE4B Q07343 2/20 0.53
SLC34A1 Q06495 6/20 0.48
P2RY12 Q9H244 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4314951 0.82 PDE4D (1.00) PDE4DMAPTPDE4BSLC34A1P2RY12
SCHEMBL6070203 0.81 PDE4D (0.63) PDE4DKDM4EMAPTPDE4BSLC34A1
SCHEMBL123446 0.80 PDE4D (0.67) PDE4DKDM4EMAPTPDE4BSLC34A1
SCHEMBL3269737 0.77 PDE4D (0.56) PDE4DKDM4EMAPTPDE4BSLC34A1
SCHEMBL15167787 0.75 MAPT (0.68) PDE4DKDM4EMAPTSLC34A1NPC1
SCHEMBL6070211 0.75 PDE4D (0.73) PDE4DMAPTPDE4BP2RY12NPC1
SCHEMBL6070491 0.74 PDE4B (0.73) PDE4DKDM4EMAPTPDE4BP2RY12
SCHEMBL6070100 0.74 KDM4E (0.62) PDE4DKDM4EMAPTPDE4BSLC34A1
SCHEMBL13920725 0.73 LMNA (0.43) PDE4DKDM4EMAPTNPC1RAB9A
SCHEMBL6070059 0.73 PDE4D (0.80) PDE4DMAPTPDE4BSLC34A1P2RY12

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 PDE4D 1187/4885KDM4E 2664/4885MAPT 4590/4885

“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.