SCHEMBL3427810

SCHEMBL3427810

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCG P01275 1/20 0.39
OXER1 Q8TDS5 6/20 0.38
GCGR P47871 5/20 0.38
GIPR P48546 1/20 0.38
KCNH2 Q12809 1/20 0.38
PHGDH O43175 4/20 0.36
CCKBR P32239 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ADCY6 O43306 1/20 0.36
ADCY3 O60266 1/20 0.36
ADCY9 O60503 1/20 0.36
ADCY5 O95622 1/20 0.36
ADCY8 P40145 1/20 0.36
ADCY7 P51828 1/20 0.36
ADCY2 Q08462 1/20 0.36
ADCY1 Q08828 1/20 0.36
ADCY4 Q8NFM4 1/20 0.36
F2 P00734 1/20 0.35

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
SCHEMBL718652 0.86 OXER1 (0.48) OXER1PHGDHRXFP1
SCHEMBL27852299 0.84 ITGB3 (0.47) GCGGCGRGIPRKCNH2ADCY6
SCHEMBL721555 0.83 GCGR (0.55) GCGGCGRGIPRKCNH2
SCHEMBL9070788 0.80 GCGR (0.38) GCGOXER1GCGRGIPRKCNH2
SCHEMBL720029 0.79 GCGR (0.43) GCGGCGRGIPRKCNH2ADCY6
SCHEMBL722052 0.77 GCGR (0.48) GCGRGIPRKCNH2CCKBR
SCHEMBL27834206 0.74 OXER1 (0.47) OXER1PHGDH
SCHEMBL716934 0.74 GCGR (0.45) GCGRGIPRKCNH2PHGDH
SCHEMBL719164 0.70 GCGR (0.55) OXER1GCGRGIPRKCNH2
SCHEMBL716441 0.69 GCGR (0.53) GCGRGIPRKCNH2

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 9 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
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 GCG 35/4885OXER1 2109/4885GCGR 90/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP GCG 35/4885OXER1 2109/4885GCGR 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.