SCHEMBL3401494

SCHEMBL3401494

O=CCC(C(=O)c1ccccc1)N1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 2/20 0.49
OPRD1 P41143 9/20 0.48
SIGMAR1 Q99720 1/20 0.46
HSP90AA1 P07900 1/20 0.45
SLC6A4 P31645 2/20 0.43
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
OPRM1 P35372 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RAB9A P51151 1/20 0.41
DRD3 P35462 1/20 0.41
OPRK1 P41145 1/20 0.39

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
SCHEMBL7302879 0.82 OPRD1 (0.60) SLC6A2SLC6A3OPRD1SIGMAR1HSP90AA1
SCHEMBL701917 0.78 SIGMAR1 (0.35) SLC6A2SLC6A3OPRD1SIGMAR1SLC6A4
SCHEMBL27513426 0.78 SLC6A2 (0.50) SLC6A2SLC6A3OPRD1SIGMAR1HSP90AA1
SCHEMBL28598873 0.77 SIGMAR1 (0.56) SLC6A2SLC6A3OPRD1SIGMAR1SLC6A4
SCHEMBL16052071 0.74 OPRD1 (0.55) OPRD1SIGMAR1SLC6A4HSD17B10USP2
SCHEMBL27914068 0.74 SIGMAR1 (0.53) SLC6A2SLC6A3OPRD1SIGMAR1SLC6A4
SCHEMBL4869220 0.74 OPRD1 (0.53) SLC6A2SLC6A3OPRD1SIGMAR1SLC6A4
SCHEMBL14068916 0.74 SLC6A3 (0.74) SLC6A2SLC6A3HSP90AA1SLC6A4ALDH1A1
SCHEMBL10772016 0.73 OPRD1 (0.57) OPRD1SIGMAR1SLC6A4TSHROPRM1
Hydrochloric Acid SCHEMBL27492948 0.73 OPRD1 (0.52) SLC6A2SLC6A3OPRD1SIGMAR1SLC6A4

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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators GRUENENTHAL GMBH (DE) 2010-04-29 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-20100105722-A1 Substituted 4,5,6,7-tetrahydrothienopyridines as KCNQ2/3 Modulators KCNQ1, KCNQ3, KCNQ2 SLC6A2 701/4885SLC6A3 873/4885OPRD1 141/4885

“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.