SCHEMBL3585307

SCHEMBL3585307

Cc1cc(C#CC2CC2)ccc1C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 18/20 0.65
RAB9A P51151 17/20 0.65
TP53 P04637 7/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 3/20 0.53
PKM P14618 3/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49

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
SCHEMBL3587189 0.96 NPC1 (0.62) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3582499 0.87 NPC1 (0.60) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3593338 0.86 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL13757202 0.85 RAB9A (0.62) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL13544156 0.85 RAB9A (0.47) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3586531 0.83 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL3591133 0.82 ALDH1A1 (0.48) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL13544144 0.82 NPC1 (0.45) NPC1RAB9ATP53SMN1; SMN2HPGD
SCHEMBL13757257 0.81 RAB9A (0.59) NPC1RAB9ATP53SMN1; SMN2ALDH1A1
SCHEMBL13544238 0.80 NPC1 (0.51) NPC1RAB9ATP53SMN1; SMN2HPGD

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.