SCHEMBL2072963

SCHEMBL2072963

O=C(O)C1CCN(c2nc3ccccc3s2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.71
NPC1 O15118 10/20 0.71
SMN1; SMN2 Q16637 6/20 0.68
MAPT P10636 4/20 0.68
TP53 P04637 2/20 0.68
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 3/20 0.58
TSHR P16473 2/20 0.58
HTT P42858 2/20 0.58
ALOX15 P16050 1/20 0.58
CASP1 P29466 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TMPRSS15 P98073 1/20 0.53
CYP1A2 P05177 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL4701619 0.88 NPC1 (0.70) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL12474738 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL24729260 0.82 SMN1; SMN2 (0.78) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL29947730 0.82 SMN1; SMN2 (0.78) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL16648810 0.81 MAPT (0.64) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL18520053 0.80 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL27645238 0.80 RAB9A (0.60) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL14143880 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL27645217 0.80 RAB9A (0.63) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL4703342 0.79 RAB9A (0.59) RAB9ANPC1SMN1; SMN2MAPTTP53

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 6 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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators GLAXO GROUP LIMITED (GB) 2011-03-10 US disclosed
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
EP-1660481-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-05-31 EP disclosed
WO-2005016915-A1 PIPERIDINE/CYCLOHEXANE CARBOXAMIDE DERIVATIVES FOR USE AS VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-02-24 WO 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 (2 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-20110059979-A1 Piperidine/Cyclohexane Carboxamide Derivatives For Use as Vanilloid Receptor Modulators TRPV1, CNR1, OPRM1 RAB9A 2168/4885NPC1 623/4885SMN1; SMN2 3707/4885
US-20060116368-A1 4-Piperidinecarboxamide modulators of vanilloid VR1 receptor VDAC1, TRPV1, HVCN1 RAB9A 3793/4885NPC1 523/4885SMN1; SMN2 4223/4885

“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.