SCHEMBL3584674

SCHEMBL3584674

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 10/20 0.48
TRPV1 Q8NER1 2/20 0.47
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 3/20 0.38
NR1H4 Q96RI1 1/20 0.38
TP53 P04637 3/20 0.37
TSHR P16473 2/20 0.37
TOP1 P11387 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2C9 P11712 1/20 0.37
PYGL P06737 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
SCHEMBL3596557 0.89 TRPV1 (0.47) NPC1RAB9ATRPV1MAPTLMNA
SCHEMBL3582216 0.88 NPC1 (0.48) NPC1RAB9ATRPV1MAPTSMN1; SMN2
SCHEMBL3577556 0.85 NPC1 (0.47) NPC1RAB9ATRPV1LMNASMN1; SMN2
SCHEMBL13544376 0.83 TRPV1 (0.61) NPC1RAB9ATRPV1MAPTLMNA
SCHEMBL5365489 0.81 NPC1 (0.41) NPC1RAB9AMAPTNR1H4TP53
SCHEMBL13544161 0.81 NPC1 (0.41) NPC1RAB9AMAPTNR1H4TP53
SCHEMBL5133343 0.81 NPC1 (0.41) NPC1RAB9AMAPTNR1H4TP53
SCHEMBL13544356 0.77 NPC1 (0.52) NPC1RAB9ATRPV1LMNASMN1; SMN2
SCHEMBL13757254 0.77 TRPV1 (0.48) NPC1RAB9ATRPV1MAPTSMN1; SMN2
SCHEMBL3589685 0.76 TRPV1 (0.50) NPC1RAB9ATRPV1MAPTLMNA

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 2452/4885TRPV1 1/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885TRPV1 1/4885

“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.