SCHEMBL514579

SCHEMBL514579

CC(C)(C)OC(=O)N1CCC(Oc2cc(N3CCc4cc(NC(=O)[C@H]5CCCO5)ccc43)ncn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL13261127 1.00 GPR119 (0.52) GPR119NPC1RAB9AKDM4EALDH1A1
SCHEMBL514769 1.00 GPR119 (0.52) GPR119NPC1RAB9AKDM4EALDH1A1
SCHEMBL13261454 0.90 GPR119 (0.65) GPR119
SCHEMBL514714 0.90 GPR119 (0.65) GPR119
SCHEMBL515671 0.90 GPR119 (0.65) GPR119
SCHEMBL514799 0.86 GPR119 (0.66) GPR119HPGD
SCHEMBL515766 0.86 GPR119 (0.66) GPR119HPGD
SCHEMBL514721 0.86 GPR119 (0.55) GPR119NPC1RAB9A
Hydrochloric Acid SCHEMBL515579 0.85 HPGD (0.46) GPR119KDM4EALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL514417 0.85 HPGD (0.46) GPR119KDM4EALDH1A1GAAHPGD

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-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 GPR119 1/4885NPC1 1261/4885RAB9A 919/4885

“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.