SCHEMBL3582216

SCHEMBL3582216

COc1cc(C#CC(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)OCCN2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
MAPT P10636 6/20 0.48
TP53 P04637 5/20 0.48
TSHR P16473 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TRPV1 Q8NER1 2/20 0.46
LRRK2 Q5S007 1/20 0.44
POLB P06746 3/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CREBBP Q92793 1/20 0.38

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 0.88 TRPV1 (0.47) NPC1RAB9AMAPTTP53TSHR
SCHEMBL3584674 0.88 NPC1 (0.48) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13544489 0.85 TRPV1 (0.59) NPC1RAB9AMAPTTP53TSHR
SCHEMBL3591670 0.79 TRPV1 (0.50) NPC1RAB9AMAPTTP53TSHR
SCHEMBL3595361 0.79 TRPV1 (0.50) NPC1RAB9AMAPTTP53TSHR
SCHEMBL3591672 0.79 TRPV1 (0.50) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13757254 0.76 TRPV1 (0.48) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3593338 0.75 NPC1 (0.47) NPC1RAB9AMAPTTP53TSHR
SCHEMBL13993370 0.75 TRPV1 (0.48) NPC1RAB9AMAPTTP53SMN1; SMN2
SCHEMBL3586601 0.73 NPC1 (0.60) NPC1RAB9AMAPTTP53TSHR

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 2452/4885MAPT 3251/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885MAPT 3268/4885

“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.