SCHEMBL3593646

SCHEMBL3593646

O=C(Nc1ccc2c(c1)OCCN2)c1ccc(C#CC2CC2)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.40
RAB9A P51151 11/20 0.40
PTGES O14684 5/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP3A4 P08684 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 2/20 0.36
QPCT Q16769 1/20 0.36
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
GLA P06280 1/20 0.35
KMT2A Q03164 1/20 0.35

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 0.83 NPC1 (0.47) NPC1RAB9APTGESTRPV1CYP3A4
SCHEMBL13544757 0.82 RAB9A (0.43) NPC1RAB9ATRPV1CYP3A4CYP19A1
SCHEMBL3593338 0.81 NPC1 (0.47) NPC1RAB9ATRPV1CYP3A4SMN1; SMN2
SCHEMBL3591277 0.80 NPC1 (0.43) NPC1RAB9APTGESTRPV1SMN1; SMN2
SCHEMBL3586531 0.78 NPC1 (0.46) NPC1RAB9ATRPV1CYP3A4SMN1; SMN2
SCHEMBL3587272 0.76 RAB9A (0.46) NPC1RAB9APTGESTRPV1SMN1; SMN2
SCHEMBL13757269 0.74 HIF1A (0.47) NPC1RAB9ATRPV1SMN1; SMN2PKM
SCHEMBL13544356 0.74 NPC1 (0.52) NPC1RAB9ATRPV1CYP3A4CYP19A1
SCHEMBL13544485 0.72 NPC1 (0.52) NPC1RAB9ATRPV1CYP3A4SMN1; SMN2
SCHEMBL13544513 0.71 NPC1 (0.50) NPC1RAB9ATRPV1CYP3A4SMN1; 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 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 2452/4885PTGES 202/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885PTGES 201/4885

“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.