SCHEMBL6072140

SCHEMBL6072140

O=C(Nc1nccs1)C1CCN(c2ccc3ccccc3c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.56
GAA P10253 2/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ABL1 P00519 6/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
GSK3B P49841 1/20 0.50
KCNA5 P22460 1/20 0.48

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
SCHEMBL5802758 0.84 HSD17B10 (0.58) HSD17B10GAAMEN1KMT2ANPC1
SCHEMBL5799776 0.76 ABL1 (0.51) LMNAABL1ALDH1A1MAPTGSK3B
SCHEMBL5799451 0.76 TRPV1 (0.52) LMNAABL1MAPT
SCHEMBL2654124 0.75 NPC1 (0.77) GAAMEN1KMT2ANPC1PKM
SCHEMBL25217762 0.74 NPC1 (0.64) HSD17B10GAAMEN1KMT2ANPC1
SCHEMBL5799454 0.74 ABL1 (0.48) NPC1RAB9ALMNAABL1ALDH1A1
SCHEMBL5799831 0.74 NOTUM (0.55) HSD17B10LMNA
SCHEMBL5799778 0.73 TRPV1 (0.49) NPC1RAB9ALMNAABL1ALDH1A1
SCHEMBL17404960 0.72 NPC1 (0.68) GAAMEN1KMT2ANPC1PKM
SCHEMBL5802998 0.72 ABL1 (0.48) HSD17B10NPC1RAB9ALMNAABL1

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
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
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 3088/4885GAA 4677/4885MEN1 4809/4885

“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.