SCHEMBL463694

SCHEMBL463694

OC1CN(Cl)CCC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.58
HTT P42858 1/20 0.47
CHRNA7 P36544 1/20 0.44
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
FUCA1 P04066 2/20 0.40
CYP2D6 P10635 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCR5 P51681 1/20 0.38

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
Water SCHEMBL4603178 0.83 SLC18A3 (0.41) SLC18A3
SCHEMBL463706 0.79 SLC18A3 (0.58) SLC18A3HTTCHRNA7SLC6A2SLC6A4
SCHEMBL11558939 0.79 SLC18A3 (0.58) SLC18A3HTTCHRNA7SLC6A2SLC6A4
SCHEMBL11558947 0.79 SLC18A3 (0.58) SLC18A3HTTCHRNA7SLC6A2SLC6A4
SCHEMBL11562664 0.79 SLC18A3 (0.58) SLC18A3HTTCHRNA7SLC6A2SLC6A4
SCHEMBL11562671 0.79 SLC18A3 (0.58) SLC18A3HTTCHRNA7SLC6A2SLC6A4
SCHEMBL11558271 0.78 FUCA1 (0.60) SLC18A3HTTFUCA1SIGMAR1ALDH1A1
SCHEMBL11558275 0.78 FUCA1 (0.60) SLC18A3HTTFUCA1SIGMAR1ALDH1A1
SCHEMBL11558282 0.78 FUCA1 (0.60) SLC18A3HTTFUCA1SIGMAR1ALDH1A1
SCHEMBL2241229 0.76 SLC18A3 (0.55) SLC18A3HTTCHRNA7SLC6A2SLC6A4

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT SLC18A3 649/4885HTT 567/4885CHRNA7 2971/4885

“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.