SCHEMBL719577

SCHEMBL719577

Cc1sc2ccccc2c1C(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 12)

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
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
PGR P06401 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
SCHEMBL719013 0.88 GCGR (0.37) GCGRHDAC6ABL1RIN1ABCC1
SCHEMBL718454 0.87 GCGR (0.38) GCGRHDAC6ABL1RIN1ABCC1
SCHEMBL718541 0.85 RCE1 (0.46) GCGRABCC1RCE1TP53POLB
SCHEMBL719331 0.85 GCGR (0.53) GCGRGCG
SCHEMBL718994 0.83 RCE1 (0.38) HDAC6ABL1RIN1RCE1OPRM1
SCHEMBL716274 0.82 OPRM1 (0.44) HDAC6ABL1RIN1RCE1OPRM1
SCHEMBL720850 0.81 GCGR (0.36) GCGRHDAC6GCGTP53MAPT
SCHEMBL3110145 0.80 RCE1 (0.40) HDAC6ABL1RIN1RCE1GCG
SCHEMBL3113000 0.80 RCE1 (0.39) HDAC6ABL1RIN1RCE1GCG
SCHEMBL720542 0.79 CYP2C19 (0.37) HDAC6ABL1RIN1RCE1OPRM1

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.