SCHEMBL2376579

SCHEMBL2376579

CN1CCN(CC(C(=O)O)N(Cc2ccc(-c3ccccn3)cc2)C(=O)/C=C/c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.37
NPY2R P49146 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
TRPM8 Q7Z2W7 2/20 0.35
HDAC1 Q13547 1/20 0.35
OPRK1 P41145 1/20 0.35
TACR3 P29371 1/20 0.35
CHKA P35790 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2A P28223 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34

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
SCHEMBL2376581 1.00 TRPV1 (0.37) TRPV1NPY2RABL1BCRCSF1R
SCHEMBL2376137 0.93 OPRK1 (0.40) TRPV1NPY2RABL1BCRTRPM8
SCHEMBL2376134 0.93 OPRK1 (0.40) TRPV1NPY2RABL1BCRTRPM8
SCHEMBL2375763 0.92 OPRK1 (0.39) TRPV1NPY2RABL1BCRTRPM8
SCHEMBL2375767 0.92 OPRK1 (0.39) TRPV1NPY2RABL1BCRTRPM8
SCHEMBL2375042 0.92 NOS3 (0.39) TRPV1CSF1RKITTRPM8HDAC1
SCHEMBL2375045 0.92 NOS3 (0.39) TRPV1CSF1RKITTRPM8HDAC1
SCHEMBL2375311 0.87 TRPV1 (0.40) TRPV1TRPM8HDAC1PPARGPPARD
SCHEMBL2375324 0.87 TRPV1 (0.40) TRPV1TRPM8HDAC1PPARGPPARD
SCHEMBL2375316 0.87 TRPV1 (0.40) TRPV1TRPM8HDAC1PPARGPPARD

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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 TRPV1 2628/4885NPY2R 4667/4885ABL1 236/4885

“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.