SCHEMBL5437369

SCHEMBL5437369

O=C(O)N1CC[C@H](NCc2cccc(F)c2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
BCHE P06276 4/20 0.43
ACHE P22303 4/20 0.43
BACE1 P56817 4/20 0.43
TEAD1 P28347 2/20 0.42
HRH4 Q9H3N8 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
C3AR1 Q16581 1/20 0.39
NPC1 O15118 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
SCHEMBL4485008 0.88 P2RX7 (0.45) SIGMAR1BCHEACHEBACE1TEAD1
SCHEMBL4485246 0.86 BCHE (0.43) SIGMAR1BCHEACHEBACE1TEAD1
SCHEMBL4483441 0.83 ALDH1A1 (0.52) SIGMAR1TMEM97ALDH1A1NPC1
SCHEMBL28812079 0.79 SIGMAR1 (0.48) SIGMAR1BCHEACHEBACE1TEAD1
SCHEMBL4482088 0.79 OPRL1 (0.53) BCHEACHEBACE1ALDH1A1L3MBTL1
SCHEMBL18919693 0.78 BCHE (0.46) BCHEACHEBACE1TEAD1ALDH1A1
SCHEMBL18919696 0.78 BCHE (0.46) BCHEACHEBACE1TEAD1ALDH1A1
Hydrochloric Acid SCHEMBL28812632 0.78 SIGMAR1 (0.47) SIGMAR1BCHEACHEBACE1TEAD1
SCHEMBL736320 0.77 OPRL1 (0.47) BCHEACHEBACE1
SCHEMBL4476067 0.77 SIGMAR1 (0.53) SIGMAR1BCHEACHEBACE1TEAD1

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-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition ELI LILY AND COMPANY (US) 2007-01-18 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-20070015786-A1 Treatment of hot flashes, impulse control disorders and personality change due to a general medical condition SLC6A2, SLC6A4, HTR5A SIGMAR1 539/4885BCHE 2544/4885ACHE 1354/4885

“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.