SCHEMBL5801872

SCHEMBL5801872

O=C(Nc1ccc2nc3ccccc3nc2c1)C1CCN(c2csc3ccccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
MAPT P10636 6/20 0.45
RXFP1 Q9HBX9 3/20 0.45
MALT1 Q9UDY8 2/20 0.45
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2C P28335 1/20 0.43
GBA1 P04062 1/20 0.43
FAAH O00519 1/20 0.42
EPHX2 P34913 1/20 0.42

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
SCHEMBL5801876 0.83 ALDH1A1 (0.45) POLBRXFP1TP53L3MBTL1LMNA
SCHEMBL5803071 0.78 SMN1; SMN2 (0.56) MAPTMALT1TP53LMNAHSD17B10
SCHEMBL5799451 0.76 TRPV1 (0.52) POLBMAPTRXFP1MALT1TP53
SCHEMBL5798515 0.74 NOTUM (0.48) POLBMAPTTP53L3MBTL1LMNA
SCHEMBL5801425 0.72 HSD17B10 (0.41) MAPTRXFP1MALT1TP53L3MBTL1
SCHEMBL6072100 0.67 HSD17B10 (0.52) MALT1TP53L3MBTL1LMNAHSD17B10
SCHEMBL22812949 0.67 RXFP1 (0.57) MAPTRXFP1MALT1TP53LMNA
SCHEMBL5799488 0.66 KDM4E (0.68) MAPTRXFP1MALT1TP53L3MBTL1
SCHEMBL28518439 0.66 MGLL (0.61) MAPTMALT1TP53
SCHEMBL6072751 0.64 ALDH1A1 (0.60) POLBMAPTTP53L3MBTL1LMNA

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 POLB 4711/4885MAPT 4590/4885RXFP1 1058/4885

“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.