SCHEMBL3595970

SCHEMBL3595970

Cc1cc(C#CC(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)OC[C@H](CO)N2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
LRRK2 Q5S007 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 7/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX12 P18054 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3587596 1.00 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL3587591 1.00 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL13544267 0.93 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL13544255 0.93 NPC1 (0.40) NPC1RAB9ALRRK2TP53HPGD
SCHEMBL5125719 0.90 RIPK1 (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL5133343 0.90 NPC1 (0.41) NPC1RAB9ATP53RIPK1MAPT
SCHEMBL13544140 0.90 RIPK1 (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2
SCHEMBL5365489 0.90 NPC1 (0.41) NPC1RAB9ATP53RIPK1MAPT
SCHEMBL13544161 0.90 NPC1 (0.41) NPC1RAB9ATP53RIPK1MAPT
SCHEMBL5298711 0.90 RIPK1 (0.37) NPC1RAB9ATP53HPGDSMN1; SMN2

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 8 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
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-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.