SCHEMBL3587272

SCHEMBL3587272

O=C(Nc1ccc2c(c1)OCCN2)c1c(F)cc(C#CC2CC2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
TRPV1 Q8NER1 2/20 0.42
HTR1F P30939 2/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
MAOB P27338 2/20 0.36
HDAC11 Q96DB2 1/20 0.36
PIR O00625 1/20 0.35
GSK3B P49841 1/20 0.35
HSF1 Q00613 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
PTGES O14684 1/20 0.34

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
SCHEMBL3591277 0.89 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL13544364 0.83 RAB9A (0.50) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL13544137 0.82 BACE1 (0.39) RAB9ANPC1SMN1; SMN2TP53HTR1F
SCHEMBL13757269 0.81 HIF1A (0.47) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL3577556 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TRPV1HTR1F
SCHEMBL3593338 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL3586531 0.77 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL3593646 0.76 NPC1 (0.40) RAB9ANPC1SMN1; SMN2TP53TRPV1
SCHEMBL3582499 0.73 NPC1 (0.60) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL5249640 0.73 HIF1A (0.45) RAB9ANPC1SMN1; SMN2TP53TRPV1

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 3 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-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 RAB9A 2452/4885NPC1 879/4885SMN1; SMN2 2207/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885SMN1; 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.