SCHEMBL10137677

SCHEMBL10137677

Cc1ccc(Oc2nccc(NC3CCN(C(=O)OC(C)(C)C)CC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
DYRK1A Q13627 1/20 0.43
MAPT P10636 3/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR119 Q8TDV5 4/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 1/20 0.42
SYK P43405 1/20 0.41
LMNA P02545 2/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL9972354 0.91 CYP3A4 (0.53) ALDH1A1GPR119CYP3A4
SCHEMBL10151267 0.88 ALDH1A1 (0.45) ALDH1A1DYRK1AMAPTNPC1MAPK1
SCHEMBL9972350 0.82 ALDH1A1 (0.50) ALDH1A1DYRK1AMAPTNPC1MAPK1
SCHEMBL10137676 0.79 CYP3A4 (0.55) ALDH1A1GPR119CYP3A4
SCHEMBL24478475 0.78 GPR119 (0.50) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL28498760 0.77 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL18644663 0.77 USP30 (0.48) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL23742318 0.76 ALDH1A1 (0.76) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL606162 0.75 ALDH1A1 (0.51) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL3094959 0.75 ALDH1A1 (0.55) ALDH1A1MAPTNPC1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 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-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 ALDH1A1 1913/4885DYRK1A 1453/4885MAPT 4510/4885

“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.