SCHEMBL13611546

SCHEMBL13611546

CCOc1ccc(C(=O)NCC2CCCN2)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
SCN9A Q15858 1/20 0.57
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
IKBKB O14920 5/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.50
PLK1 P53350 1/20 0.50
GLA P06280 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL279926 0.83 SCN9A (0.54) HPGDSMN1; SMN2SCN9ANPC1RAB9A
SCHEMBL17886781 0.81 SCN9A (0.57) HPGDSMN1; SMN2SCN9ANPC1RAB9A
SCHEMBL3036514 0.80 SCN9A (0.54) SCN9AIKBKB
SCHEMBL31188482 0.80 ADRB1 (0.60) HPGDSCN9AIKBKB
SCHEMBL5088410 0.80 ADRB1 (0.60) HPGDSCN9AIKBKB
SCHEMBL8274391 0.80 ADRB1 (0.60) HPGDSCN9AIKBKB
SCHEMBL13766453 0.80 SCN9A (0.56) SCN9AIKBKB
SCHEMBL17816494 0.79 CYP1A2 (0.73) HPGDSMN1; SMN2SCN9ARAB9ANPSR1
SCHEMBL17888386 0.79 SCN9A (0.58) HPGDSMN1; SMN2SCN9ANPC1RAB9A
SCHEMBL1995036 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 HPGD 1195/4885SMN1; SMN2 2456/4885SCN9A 1477/4885

“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.