SCHEMBL4454172

SCHEMBL4454172

CN1CCC(NS(=O)(=O)c2ccc(OC3CCN(c4ccc(C(F)(F)F)cc4)CC3)nc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.45
UCHL1 P09936 2/20 0.45
GPR119 Q8TDV5 3/20 0.43
LIPG Q9Y5X9 1/20 0.42
SCN3A Q9NY46 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 2/20 0.41
LIPE Q05469 4/20 0.39
PRKAA2 P54646 1/20 0.38
HTR1A P08908 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
SCHEMBL10113339 0.91 ALDH1A1 (0.46) USP30UCHL1GPR119LIPGSCN3A
SCHEMBL648582 0.89 UCHL1 (0.43) USP30UCHL1GPR119LIPGSCN3A
SCHEMBL3665469 0.89 LIPG (0.45) USP30UCHL1GPR119LIPGLIPE
SCHEMBL648845 0.88 LIPE (0.45) USP30UCHL1GPR119HTR7LIPE
SCHEMBL649734 0.87 GPR119 (0.58) GPR119
SCHEMBL4401672 0.86 LIPE (0.44) USP30UCHL1GPR119LIPEPRKAA2
SCHEMBL650729 0.86 LIPE (0.43) USP30UCHL1HTR7LIPEPRKAA2
SCHEMBL12225951 0.85 PRKAA2 (0.46) USP30UCHL1HTR7LIPEPRKAA2
SCHEMBL649826 0.84 PRKAA2 (0.52) LIPEPRKAA2
SCHEMBL648221 0.84 HTR1A (0.46) HTR7LIPEHTR1A

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-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-05-10 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-20120115838-A1 AMPK-Activating Heterocycloalkyloxy(Hetero)Aryl Carboxamide, Sulfonamide And Amine Compounds And Methods For Using The Same PRKAA1, PRKAA2, PRKAG1 USP30 2371/4885UCHL1 2457/4885GPR119 18/4885

“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.