SCHEMBL13763512

SCHEMBL13763512

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
NR1H4 Q96RI1 8/20 0.41
HPGD P15428 1/20 0.40
TRPV1 Q8NER1 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
MAPT P10636 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
EPHA3 P29320 1/20 0.37
FRK P42685 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL13763399 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL13763401 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL13544357 0.90 NPC1 (0.44) NPC1RAB9ANR1H4TRPV1PPARG
SCHEMBL13763397 0.90 NPC1 (0.44) NPC1RAB9ANR1H4TRPV1PPARG
SCHEMBL13763310 0.90 RAB9A (0.39) NPC1RAB9ASMN1; SMN2TP53NR1H4
SCHEMBL13763517 0.90 NPC1 (0.44) NPC1RAB9ANR1H4TRPV1PPARG
SCHEMBL13763351 0.90 RAB9A (0.39) NPC1RAB9ASMN1; SMN2TP53NR1H4
SCHEMBL13763520 0.90 RAB9A (0.39) NPC1RAB9ASMN1; SMN2TP53NR1H4
SCHEMBL13544748 0.90 NR1H4 (0.43) NPC1RAB9ASMN1; SMN2TP53THRB
SCHEMBL13763501 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 NPC1 959/4885RAB9A 2274/4885SMN1; SMN2 2392/4885

“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.