SCHEMBL717614

SCHEMBL717614

CCCCCCC(Nc1ccc(C(=O)N(C)CCC(=O)O)cc1)c1cc2cc(Cl)ccc2n1C.CCCCCCC(Nc1ccc(C(=O)N(C)CCC(=O)OCC)cc1)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
F2 P00734 2/20 0.36
GCG P01275 1/20 0.36
NR1I2 O75469 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
SLC6A2 P23975 1/20 0.36
AGTR1 P30556 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SCN5A Q14524 1/20 0.36
GCGR P47871 3/20 0.35
GIPR P48546 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXER1 Q8TDS5 4/20 0.34
ADCY6 O43306 1/20 0.34
ADCY3 O60266 1/20 0.34
ADCY9 O60503 1/20 0.34
ADCY5 O95622 1/20 0.34
ADCY8 P40145 1/20 0.34
ADCY7 P51828 1/20 0.34
ADCY2 Q08462 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
SCHEMBL3397752 0.98 CCKBR (0.39) CCKBRF2GCGNR1I2ADORA3
SCHEMBL3427810 0.94 GCG (0.39) CCKBRF2GCGGCGRGIPR
SCHEMBL719157 0.85 GCGR (0.51) GCGRGIPRKCNH2MAPT
SCHEMBL720029 0.85 GCGR (0.43) GCGGCGRGIPRKCNH2ADCY6
SCHEMBL722052 0.83 GCGR (0.48) CCKBRGCGRGIPRKCNH2
SCHEMBL718652 0.81 OXER1 (0.48) OXER1PSEN1PSEN2APH1BNCSTN
SCHEMBL721063 0.81 MAPT (0.40) OXER1PSEN1PSEN2APH1BNCSTN
SCHEMBL721555 0.78 GCGR (0.55) GCGGCGRGIPRKCNH2MAPT
SCHEMBL9070788 0.75 GCGR (0.38) GCGGCGRGIPRKCNH2OXER1
SCHEMBL719666 0.71 MAOB (0.38) GCGKMT2ARXFP1

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 CCKBR 124/4885F2 1682/4885GCG 35/4885

“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.