SCHEMBL5033047

SCHEMBL5033047

Cc1cc(C#CC2CC2)ccc1C(=O)Nc1ccc2c(c1)OCC(CO)N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.40
RAB9A P51151 8/20 0.40
LRRK2 Q5S007 1/20 0.38
TP53 P04637 2/20 0.37
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
RIPK1 Q13546 2/20 0.36
PTGES O14684 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL5037380 0.97 NPC1 (0.39) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL5245838 0.90 BACE1 (0.40) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL5032074 0.90 BACE1 (0.40) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL13544158 0.90 NPC1 (0.40) NPC1RAB9ABACE1BACE2RIPK1
SCHEMBL5284179 0.90 BACE1 (0.40) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL3587596 0.88 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL3595970 0.88 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL3587591 0.88 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL5246826 0.86 PAX8 (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL13993443 0.85 NPC1 (0.36) NPC1RAB9ALRRK2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954132-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2008-08-13 EP claimed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 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-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 (3 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 2452/4885LRRK2 2222/4885
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885LRRK2 1927/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885LRRK2 1927/4885

“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.