SCHEMBL720029

SCHEMBL720029

CCCCCCC(Nc1ccc(C(=O)NCCC(=O)OCC)cc1)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.43
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43
GIPR P48546 1/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 1/20 0.40
GCG P01275 1/20 0.39
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3402318 0.91 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL27852299 0.88 ITGB3 (0.47) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3397752 0.86 CCKBR (0.39) GCGRGIPRKCNH2MAPTGCG
SCHEMBL717614 0.85 CCKBR (0.38) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL721420 0.84 GCGR (0.60) GCGRGIPRKCNH2
SCHEMBL718652 0.84 OXER1 (0.48)
SCHEMBL721063 0.83 MAPT (0.40) MAPT
SCHEMBL3427810 0.79 GCG (0.39) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL716934 0.76 GCGR (0.45) GCGRGIPRKCNH2CNR2
SCHEMBL2669829 0.73 GCGR (0.49) GCGRADCY6ADCY3ADCY9ADCY5

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 4 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-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
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 90/4885ADCY6 2332/4885ADCY3 2612/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCGR 90/4885ADCY6 2332/4885ADCY3 2612/4885

“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.