SCHEMBL3594302

SCHEMBL3594302

NCCCC(N)COCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
SCN9A Q15858 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KIF11 P52732 1/20 0.35
EPHX1 P07099 2/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
MAOB P27338 2/20 0.34
AOC3 Q16853 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL5025103 0.81 IDO1 (0.43) MAOB
SCHEMBL3587032 0.78 TACR1 (0.43)
SCHEMBL3577606 0.77 TACR1 (0.51) TSHR
SCHEMBL28780545 0.75 TSHR (0.47) SCN10ASCN9ABCHEACHECARM1
SCHEMBL2024806 0.72 SLC7A5 (0.48) SLC7A5KIF11MAOBAOC3ALDH1A1
Hydrochloric Acid SCHEMBL11114681 0.72 TACR1 (0.49) TSHR
SCHEMBL8321773 0.71 SLC7A5 (0.50) SLC7A5KIF11MAOBAOC3ALDH1A1
SCHEMBL19075450 0.69 TSHR (0.40) SCN10ASCN9ABCHEACHEEPHX1
SCHEMBL2097292 0.69 SLC7A5 (0.49) SLC7A5KIF11MAOBAOC3ALDH1A1
SCHEMBL3554069 0.69 PTPN1 (0.45) SLC7A5SCN10ABCHEACHEEPHX1

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 SLC7A5 329/4885SCN10A 694/4885SCN9A 831/4885

“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.