SCHEMBL6001408

SCHEMBL6001408

c1ccc(CN2CCc3c(ncnc3Nc3ccc(N4CCCCCC4)cc3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.52
FAAH O00519 3/20 0.45
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRS3 P32247 3/20 0.42
LIMK1 P53667 1/20 0.41
TRPV1 Q8NER1 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 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
SCHEMBL4864601 0.88 MKNK1 (0.57) MKNK1FAAHBRS3LIMK1MAPT
SCHEMBL4871319 0.85 MKNK1 (0.55) MKNK1FAAHBRS3TRPV1
SCHEMBL4866606 0.82 TRPV1 (0.55) MKNK1FAAHTRPV1
SCHEMBL4868405 0.82 TRPV1 (0.59) MKNK1FAAHTRPV1
SCHEMBL4872328 0.80 MKNK1 (0.50) MKNK1FAAHBRS3TRPV1
SCHEMBL2845073 0.79 MKNK1 (0.54) MKNK1FAAHBRS3MAPT
SCHEMBL6001517 0.79 TRPV1 (0.59) TRPV1
SCHEMBL4870103 0.79 FAAH (0.53) MKNK1FAAHTRPV1
SCHEMBL4864825 0.78 MAPT (0.51) MKNK1FAAHALDH1A1NPSR1LMNA
SCHEMBL4872158 0.78 FAAH (0.73) MKNK1FAAHTRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof ABBOTT LABORATORIES 2006-06-15 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-20060128710-A1 Antagonists to the vanilloid receptor subtype 1 (VR1) and uses thereof OPRL1, AVPR1A, AVPR2 MKNK1 4146/4885FAAH 480/4885KDM1A 1314/4885

“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.