SCHEMBL721163

SCHEMBL721163

O=C(CCNC(=O)c1ccc(NC(c2csc3ccccc23)C2CCCCC2)cc1)OC(c1csc2ccccc12)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCG P01275 11/20 0.38
GLP1R P43220 1/20 0.36
GCGR P47871 1/20 0.36
GIPR P48546 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
RCE1 Q9Y256 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
PRSS1 P07477 1/20 0.34
CTSG P08311 1/20 0.34
CTRB1 P17538 1/20 0.34
CMA1 P23946 1/20 0.34
CXCR4 P61073 1/20 0.34
MTNR1A P48039 1/20 0.34

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
SCHEMBL719326 0.88 GCG (0.46) GCGGLP1RGCGRGIPRSMN1; SMN2
SCHEMBL719280 0.80 GCGR (0.42) GCGGLP1RGCGRGIPRSMN1; SMN2
SCHEMBL719002 0.79 RCE1 (0.52) RCE1HDAC6CMA1MTNR1A
SCHEMBL718994 0.74 RCE1 (0.38) GCGRCE1HDAC6
SCHEMBL718203 0.72 GCGR (0.45) GCGGCGRSMN1; SMN2TP53
SCHEMBL721583 0.72 GCG (0.42) GCGGLP1RGCGRGIPRHDAC6
SCHEMBL719331 0.71 GCGR (0.53) GCGGLP1RGCGRGIPRSMN1; SMN2
SCHEMBL720571 0.71 GCGR (0.53) GCGGLP1RGCGRGIPRSMN1; SMN2
SCHEMBL718289 0.70 GCGR (0.44) GCGGLP1RGCGRGIPRSMN1; SMN2
SCHEMBL718349 0.70 GCG (0.44) GCGGLP1RGCGRGIPRSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US 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 (1 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 GCG 35/4885GLP1R 5/4885GCGR 90/4885

“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.