SCHEMBL17729543

SCHEMBL17729543

O=C(O)N1CC(Nc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 7/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ HSD11B1 P28845 2/20 0.48
▸ TRPV1 Q8NER1 2/20 0.47
▸ HCRTR1 O43613 2/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NPY5R Q15761 1/20 0.45
▸ CCR7 P32248 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14834356 0.86 CCR6 (0.59) CCR6NPC1RAB9ACYP3A4CYP2D6
SCHEMBL14814958 0.83 CCR6 (0.46) CCR6NPC1RAB9ACYP3A4CYP2D6
SCHEMBL26120478 0.83 CCNK (0.47) HCRTR1LMNAMAPTHTTSMN1; SMN2
SCHEMBL17729502 0.82 SYK (0.50) CCR6CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL21722966 0.80 EPHX2 (0.46) NPC1RAB9AEPHX2
SCHEMBL15739645 0.79 CCR6 (0.61) CCR6HCRTR1DPP4NPY5RCCR7
SCHEMBL15739705 0.76 HCRTR1 (0.55) CCR6HCRTR1DPP4CCR7
SCHEMBL18607634 0.76 CCR6 (0.55) CCR6HCRTR1DPP4CCR7
SCHEMBL21853973 0.75 CCNK (0.53) CCR6CYP3A4CYP2D6CYP2C9HSD11B1
SCHEMBL17741141 0.75 CCR6 (0.48) CCR6NPC1RAB9AHCRTR1PTGS1

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 4 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
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-11-23 — — 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 (2 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 CCR6 2698/4885NPC1 217/4885RAB9A 2184/4885
US-20170334846-A1 SUBSTITUTED AZETIDINYL COMPOUNDS AS GLYT1 INHIBITORS GLRA1, AGXT, B4GALT1 CCR6 2698/4885NPC1 217/4885RAB9A 2184/4885

“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.

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