SCHEMBL716694

SCHEMBL716694

Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2cnccc12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.35
GCG P01275 8/20 0.34
RCE1 Q9Y256 1/20 0.34
AKR1C3 P42330 1/20 0.34
HPGD P15428 1/20 0.33
PDE7A Q13946 2/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
BRAF P15056 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
SCHEMBL3399873 0.93 NAMPT (0.35) NAMPTGCGRCE1AKR1C3HPGD
SCHEMBL718563 0.91 NAMPT (0.34) NAMPTRCE1HPGDPDE7ALCK
SCHEMBL719013 0.88 GCGR (0.37) NAMPTGCGRCE1PDE7A
SCHEMBL721279 0.88 NAMPT (0.33) NAMPTGCGRCE1PDE7A
SCHEMBL718454 0.87 GCGR (0.38) NAMPTGCGRCE1
SCHEMBL1439853 0.86 GCG (0.39) GCGRCE1AKR1C3HPGDPDE7A
SCHEMBL14905693 0.86 RCE1 (0.45) NAMPTRCE1HPGDPDE7ALCK
SCHEMBL717365 0.86 GCG (0.48) GCG
SCHEMBL3401014 0.85 NAMPT (0.34) NAMPTRCE1HPGDPDE7ALCK
SCHEMBL1439300 0.85 GCG (0.39) GCGRCE1AKR1C3HPGDPDE7A

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 NAMPT 69/4885GCG 35/4885RCE1 2661/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP NAMPT 69/4885GCG 35/4885RCE1 2661/4885

“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.