SCHEMBL719013

SCHEMBL719013

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
HDAC6 Q9UBN7 5/20 0.35
ABL1 P00519 2/20 0.34
RIN1 Q13671 2/20 0.34
ABCC1 P33527 1/20 0.34
RCE1 Q9Y256 1/20 0.34
OPRM1 P35372 1/20 0.34
GCG P01275 2/20 0.34
PGR P06401 1/20 0.33
NAMPT P43490 1/20 0.33
PDE7A Q13946 1/20 0.33

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
SCHEMBL718454 0.99 GCGR (0.38) GCGRHDAC6ABL1RIN1ABCC1
SCHEMBL720850 0.93 GCGR (0.36) GCGRHDAC6GCGNAMPT
SCHEMBL717719 0.90 TP53 (0.36) GCGRHDAC6NAMPT
SCHEMBL718716 0.88 GCG (0.36) GCGRABCC1OPRM1GCGPDE7A
SCHEMBL3399873 0.88 NAMPT (0.35) RCE1GCGNAMPTPDE7A
SCHEMBL716694 0.88 NAMPT (0.35) RCE1GCGNAMPTPDE7A
SCHEMBL719577 0.88 GCGR (0.37) GCGRHDAC6ABL1RIN1ABCC1
SCHEMBL3403776 0.87 RCE1 (0.45) HDAC6RCE1GCGNAMPTPDE7A
SCHEMBL716440 0.86 RCE1 (0.41) HDAC6RCE1GCGNAMPTPDE7A
SCHEMBL720764 0.85 RCE1 (0.46) GCGRABCC1RCE1PGRPDE7A

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 10 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

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 GCGR 90/4885HDAC6 274/4885ABL1 2349/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885HDAC6 274/4885ABL1 2349/4885

“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.