SCHEMBL5798751

SCHEMBL5798751

CC(=O)N1c2cc(N)ccc2CC1C

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
HSD17B3 P37058 1/20 0.46
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
PKLR P30613 1/20 0.42
TNF P01375 4/20 0.41
NOD2 Q9HC29 4/20 0.41
NOD1 Q9Y239 4/20 0.41
SLC22A12 Q96S37 1/20 0.40
RAB9A P51151 1/20 0.40
THRB P10828 1/20 0.40
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
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
SCHEMBL7416927 0.88 NOTUM (0.62) NOTUMHSD17B3KDM4EMAPTMEN1
SCHEMBL27612686 0.84 ALDH1A1 (0.43) NOTUMKDM4EMAPTGAASLC22A12
SCHEMBL32673839 0.80 NOTUM (0.56) NOTUMMAPTPKLRTNFNOD2
SCHEMBL2586534 0.77 NOTUM (1.00) NOTUMMAPTMEN1KMT2ASLC22A12
SCHEMBL10167044 0.77 NOTUM (1.00) NOTUMMAPTMEN1KMT2ASLC22A12
SCHEMBL5523654 0.77 NOTUM (1.00) NOTUMMAPTMEN1KMT2ASLC22A12
SCHEMBL8169775 0.77 NOTUM (0.56) NOTUMKMT2APKLRTNFNOD2
SCHEMBL29737224 0.77 NOTUM (0.56) NOTUMKMT2APKLRTNFNOD2
SCHEMBL5798736 0.77 MAPT (0.67) NOTUMKDM4EMAPTGAATNF
SCHEMBL3035084 0.75 NOTUM (0.46) NOTUMGAAPKLRTNFNOD2

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 NOTUM 3548/4885HSD17B3 4207/4885KDM4E 2664/4885

“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.