SCHEMBL3591277

SCHEMBL3591277

O=C(Nc1ccc2c(c1)OCCN2)c1ccc(C#CC2CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGES O14684 1/20 0.37
HDAC11 Q96DB2 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
SCHEMBL3577556 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TRPV1MEN1
SCHEMBL3593338 0.89 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3587272 0.89 RAB9A (0.46) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3582499 0.86 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3586531 0.85 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3596557 0.85 TRPV1 (0.47) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5032074 0.82 BACE1 (0.40) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5284179 0.82 BACE1 (0.40) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL5245838 0.82 BACE1 (0.40) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL13757269 0.82 HIF1A (0.47) NPC1RAB9ATP53SMN1; SMN2TRPV1

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 2452/4885TP53 3973/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885TP53 4006/4885

“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.