SCHEMBL5799778

SCHEMBL5799778

O=C(Nc1cccc2nc3ccccc3cc12)C1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
ABL1 P00519 6/20 0.47
HCAR2 Q8TDS4 2/20 0.47
ME3 Q16798 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 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
SCHEMBL5801390 0.90 TRPV1 (0.52) TRPV1USP2ALDH1A1HCAR2ME3
SCHEMBL5799454 0.86 ABL1 (0.48) TRPV1USP2ALDH1A1ABL1HCAR2
SCHEMBL5799776 0.85 ABL1 (0.51) TRPV1USP2ALDH1A1ABL1HCAR2
SCHEMBL5799451 0.80 TRPV1 (0.52) TRPV1ABL1ME3LMNARXFP1
SCHEMBL5799831 0.74 NOTUM (0.55) USP2HCAR2LMNATSHR
SCHEMBL5801385 0.74 TRPV1 (0.50) TRPV1USP2ALDH1A1HCAR2ME3
SCHEMBL6072140 0.73 HSD17B10 (0.56) ALDH1A1ABL1NPC1RAB9ALMNA
SCHEMBL5798738 0.72 TRPV1 (0.53) TRPV1ALDH1A1ABL1HCAR2ME3
SCHEMBL6072439 0.72 TRPV1 (0.57) TRPV1ABL1HCAR2NPC1RAB9A
SCHEMBL6072333 0.71 TRPV1 (0.54) TRPV1ABL1HCAR2ME3

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
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 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 TRPV1 2/4885USP2 3489/4885ALDH1A1 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.