SCHEMBL17729499

SCHEMBL17729499

O=C(O)N1CC(F)(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
SRD5A2 P31213 1/20 0.40
THRB P10828 1/20 0.39
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
HSD11B1 P28845 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
SCHEMBL17729514 0.83 OPRL1 (0.43) APPMAOAMAOBKDM1AMEN1
SCHEMBL15156675 0.79 MAPT (0.38) HPGDCES2CES1CA12CA2
SCHEMBL17729554 0.79 MAPT (0.51)
SCHEMBL15011671 0.76 TAS2R14 (0.39) MEN1HPGDTSHRKMT2ACES2
SCHEMBL14748330 0.75 OPRL1 (0.48) APPMEN1HPGDTSHRKMT2A
SCHEMBL23577913 0.74 OPRL1 (0.53) APPMEN1HPGDTSHRKMT2A
SCHEMBL28122631 0.73 SCD (0.42) APPMEN1HPGDTSHRKMT2A
SCHEMBL30471972 0.73 MEN1 (0.45) MEN1HPGDTSHRKMT2ACES2
SCHEMBL1581880 0.71 OPRL1 (0.50) APPMEN1HPGDTSHRKMT2A
SCHEMBL28123227 0.71 TACR1 (0.44) APPMEN1HPGDTSHRKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2018-08-07 US disclosed
EP-3215500-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS Dart NeuroScience (Cayman) Ltd. (KY) 2017-09-13 EP disclosed
WO-2016073420-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE, LLC (US) 2016-05-12 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-10040759-B2 Substituted azetidinyl compounds as GlyT1 inhibitors GLRA1, AGXT, B4GALT1 APP 366/4885MAOA 2368/4885MAOB 1961/4885

“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.