SCHEMBL5456237

SCHEMBL5456237

C[C@H]1[C@H](NC(=O)C(F)(F)F)CN1C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.40
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
PGR P06401 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
DPP8 Q6V1X1 2/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL5456238 1.00 SLC6A9 (0.40) SLC6A9SSTR1SSTR4PGRCHRM2
Hydrochloric Acid SCHEMBL5463007 0.99 SLC6A9 (0.40) SLC6A9SSTR1SSTR4PGRCHRM2
Hydrochloric Acid SCHEMBL5463006 0.99 SLC6A9 (0.40) SLC6A9SSTR1SSTR4PGRCHRM2
SCHEMBL5461125 0.87 SLC6A9 (0.44) SLC6A9SSTR1SSTR4PGRDPP4
SCHEMBL5454596 0.87 SLC6A9 (0.44) SLC6A9SSTR1SSTR4PGRDPP4
SCHEMBL5461121 0.87 SLC6A9 (0.44) SLC6A9SSTR1SSTR4PGRDPP4
SCHEMBL31368119 0.80 KDM1A (0.43) SLC6A9MEN1KMT2AGAA
SCHEMBL31368071 0.80 KDM1A (0.43) SLC6A9MEN1KMT2AGAA
SCHEMBL9358966 0.79 SLC6A9 (0.38) SLC6A9ALDH1A1DPP8OPRD1
SCHEMBL9358962 0.79 SLC6A9 (0.38) SLC6A9ALDH1A1DPP8OPRD1

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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2007-03-22 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-20070066587-A1 Substituted azetidine compounds, their preparation and use as medicaments AZI2, NISCH, QDPR SLC6A9 1388/4885SSTR1 1464/4885SSTR4 946/4885

“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.