SCHEMBL5799412

SCHEMBL5799412

O=C(Nc1ccc2cncnc2c1)C1CCN(c2cccs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.47
CYP46A1 Q9Y6A2 1/20 0.46
IMPDH2 P12268 1/20 0.45
PRMT3 O60678 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
CHRM5 P08912 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
KDM4E B2RXH2 2/20 0.42
RECQL P46063 1/20 0.42
PKM P14618 1/20 0.42
GAA P10253 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5802183 0.84 KDM4E (0.61) HSD17B10CYP46A1ALDH1A1HTTLMNA
SCHEMBL6072100 0.83 HSD17B10 (0.52) HSD17B10ALDH1A1HTTLMNACHRM5
SCHEMBL5800127 0.75 TSHR (0.52) HSD17B10ALDH1A1LMNAMAPK1KDM4E
SCHEMBL6071541 0.69 LMNA (0.47) HSD17B10ALDH1A1LMNAMAPK1KDM4E
SCHEMBL5801985 0.69 HSD17B10 (0.43) HSD17B10ALDH1A1LMNAKDM4ERECQL
SCHEMBL5802574 0.69 HSD17B10 (0.43) HSD17B10ALDH1A1LMNAKDM4ERECQL
SCHEMBL31501377 0.67 MKNK1 (0.64)
SCHEMBL25602726 0.67 MKNK1 (0.64)
SCHEMBL5798823 0.67 POLB (0.56) HSD17B10ALDH1A1HTTLMNAKDM4E
SCHEMBL5799488 0.66 KDM4E (0.68) HSD17B10ALDH1A1HTTLMNAALOX15

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 3 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 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 HSD17B10 3088/4885CYP46A1 3558/4885IMPDH2 874/4885

“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.