SCHEMBL3586601

SCHEMBL3586601

CC(C)(C)C#Cc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.60
RAB9A P51151 14/20 0.60
SMN1; SMN2 Q16637 7/20 0.60
TP53 P04637 6/20 0.60
HPGD P15428 2/20 0.60
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.50
PKM P14618 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL3596557 0.86 TRPV1 (0.47) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544155 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5909456 0.83 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL3582499 0.83 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544486 0.81 RAB9A (0.66) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5298711 0.79 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL13544140 0.79 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5125719 0.79 RIPK1 (0.37) NPC1RAB9ASMN1; SMN2TP53HPGD
SCHEMBL5909198 0.77 RAB9A (0.65) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL13757201 0.74 RAB9A (0.62) NPC1RAB9ASMN1; SMN2TP53MAPT

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 NPC1 879/4885RAB9A 2452/4885SMN1; SMN2 2207/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885SMN1; SMN2 2392/4885

“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.