SCHEMBL13833142

SCHEMBL13833142

CCN(CCc1noc(-c2ccc(F)cc2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HCRTR1 O43613 7/20 0.41
HCRTR2 O43614 7/20 0.41
PPARD Q03181 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SSTR4 P31391 1/20 0.36
TPH1 P17752 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL13833216 0.89 ALDH1A1 (0.39) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL15522012 0.86 HCRTR1 (0.45) PPARGPPARAHCRTR1HCRTR2HDAC1
SCHEMBL15520240 0.84 KDM4E (0.51) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL16648842 0.79 HCRTR1 (0.59) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL16812744 0.77 HCRTR1 (0.49) PPARGPPARAHCRTR1HCRTR2PPARD
SCHEMBL15519557 0.73 HCRTR1 (0.69) PPARGPPARAKDM4ENPC1ALDH1A1
SCHEMBL15519767 0.73 HCRTR1 (0.71) NPC1RAB9ASMN1; SMN2HCRTR1HCRTR2
SCHEMBL13833288 0.73 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL15519116 0.73 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL15519525 0.73 ALDH1A1 (0.45) PPARGPPARAKDM4ENPC1ALDH1A1

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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
WO-2012153729-A1 HETEROAROMATIC RING DERIVATIVE 大正製薬株式会社 (JP) 2012-11-15 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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT PPARG 408/4885PPARA 709/4885KDM4E 1664/4885

“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.