SCHEMBL5798538

SCHEMBL5798538

O=C(O)C1CCN(c2ccc3scnc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
MMP2 P08253 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
NOTUM Q6P988 7/20 0.45
CYP2C19 P33261 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CHRM5 P08912 4/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK2 Q15119 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL23075831 0.78 MMP2 (0.45) MMP2ADAMTS5CYP2C19LMNACYP3A4
SCHEMBL6072349 0.77 CHRM5 (0.63) KDM4ECHRM5HSD17B10
SCHEMBL5799490 0.77 CHRM5 (0.49) CHRM5HSD17B10
SCHEMBL7961776 0.76 OGA (0.47) MMP2ADAMTS5CYP2C19LMNACYP3A4
SCHEMBL6072444 0.76 CHRM5 (0.45) MMP2ADAMTS5CHRM5HSD17B10
SCHEMBL6072388 0.76 TRPV1 (0.64) KDM4ECHRM5TP53SMN1; SMN2HSD17B10
SCHEMBL30609653 0.75 ADRB1 (0.46) MMP2ADAMTS5CYP2C19CYP3A4CYP2C9
SCHEMBL15548204 0.75 ADRB1 (0.46) MMP2ADAMTS5CYP2C19CYP3A4CYP2C9
SCHEMBL6072188 0.74 CHRM5 (0.45) CHRM5TP53USP2
SCHEMBL31506583 0.74 MMP2 (0.39) MMP2ADAMTS5CYP2C19KDM4ECHRM5

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 PDE3B 3574/4885PDE3A 3422/4885MMP2 4515/4885

“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.