SCHEMBL3596557

SCHEMBL3596557

CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc3c(c2)OCCN3)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.47
NPC1 O15118 11/20 0.43
RAB9A P51151 10/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 5/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 1/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
MAPK1 P28482 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL3584674 0.89 NPC1 (0.48) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3582216 0.88 NPC1 (0.48) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL3586601 0.86 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3591277 0.85 NPC1 (0.43) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13544352 0.83 TRPV1 (0.61) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13544140 0.81 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5298711 0.81 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5125719 0.81 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544730 0.77 NPC1 (0.47) TRPV1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL13993370 0.77 TRPV1 (0.48) TRPV1NPC1RAB9ASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US claimed
US-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 US disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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 (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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPC1 879/4885RAB9A 2452/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885NPC1 959/4885RAB9A 2274/4885

“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.