SCHEMBL717004

SCHEMBL717004

COC(=O)c1ccc(NC(c2oc3ccc(OCC4CC4)cc3c2C)C(C)C)nc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
DGAT1 O75907 4/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MCHR1 Q99705 2/20 0.36
MAPT P10636 3/20 0.36
ACACB O00763 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
ACACA Q13085 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL720443 0.92 GCK (0.46) GCKDGAT1KDM4E
SCHEMBL718710 0.84 KDM4E (0.34) GCKNPC1RAB9ADGAT1KDM4E
SCHEMBL721152 0.83 DGAT1 (0.38) NPC1RAB9ADGAT1KDM4EALDH1A1
SCHEMBL719057 0.79 DGAT1 (0.42) NPC1RAB9ADGAT1KDM4EALDH1A1
SCHEMBL717092 0.76 NPC1 (0.37) NPC1RAB9ADGAT1KDM4EMCHR1
SCHEMBL719278 0.74 GCK (0.31) GCKDGAT1MCHR1
SCHEMBL718528 0.74 MAOB (0.42) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL718396 0.74 DGAT1 (0.37) NPC1RAB9ADGAT1KDM4EMCHR1
SCHEMBL718137 0.74 KDM4E (0.36) NPC1RAB9ADGAT1KDM4EALDH1A1
SCHEMBL718680 0.71 KDM4E (0.34) NPC1RAB9ADGAT1KDM4EALDH1A1

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCK 132/4885NPC1 902/4885RAB9A 2454/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCK 132/4885NPC1 902/4885RAB9A 2454/4885

“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.