SCHEMBL718396

SCHEMBL718396

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)nc2)C(C)C)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 10/20 0.37
SOAT2 O75908 1/20 0.36
SOAT1 P35610 1/20 0.36
DGAT2 Q96PD7 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MCHR1 Q99705 2/20 0.33
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
GRM4 Q14833 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL718680 0.93 KDM4E (0.34) DGAT1SOAT2SOAT1DGAT2NPC1
SCHEMBL717092 0.89 NPC1 (0.37) DGAT1SOAT2SOAT1DGAT2NPC1
SCHEMBL719057 0.88 DGAT1 (0.42) DGAT1SOAT2SOAT1DGAT2NPC1
SCHEMBL3399846 0.88 CASP3 (0.41) NPC1RAB9A
SCHEMBL721152 0.86 DGAT1 (0.38) DGAT1SOAT2SOAT1DGAT2NPC1
SCHEMBL717422 0.85 DGAT1 (0.33) DGAT1SOAT2SOAT1DGAT2KDM4E
SCHEMBL722328 0.85 GCK (0.36) DGAT1SOAT2SOAT1DGAT2NPC1
SCHEMBL718137 0.82 KDM4E (0.36) DGAT1NPC1RAB9AMCHR1KDM4E
SCHEMBL720091 0.82 GABRA1 (0.39) NPC1RAB9A
SCHEMBL718897 0.80 ABCG2 (0.35) NPC1RAB9AMCHR1

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 11 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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
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-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 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
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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
WO-2009110520-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-09-11 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 (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 DGAT1 869/4885SOAT2 606/4885SOAT1 588/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP DGAT1 869/4885SOAT2 606/4885SOAT1 588/4885

“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.