SCHEMBL10242803

SCHEMBL10242803

COCc1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(Nc1ccc(C(=O)N(C)CCC(C)=O)cc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 5/20 0.38
GIPR P48546 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GLP1R P43220 1/20 0.34
GCG P01275 4/20 0.34
IDH1 O75874 1/20 0.33
PDE2A O00408 1/20 0.33
EPHX1 P07099 1/20 0.33
EPHX2 P34913 1/20 0.33
CHRM4 P08173 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
FASN P49327 1/20 0.32
SLC6A9 P48067 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL718125 0.95 GCGR (0.43) GCGRGIPRTDP1L3MBTL1KMT2A
SCHEMBL721415 0.87 SLC6A9 (0.41) GCGRGIPRL3MBTL1KMT2AMEN1
SCHEMBL718930 0.85 GCG (0.39) GCGRGIPRGLP1RGCGSLC6A9
SCHEMBL717255 0.85 GCGR (0.44) GCGRGIPRTDP1L3MBTL1KMT2A
SCHEMBL718602 0.85 GCGR (0.45) GCGRGIPRTDP1L3MBTL1KMT2A
SCHEMBL722928 0.83 GCGR (0.43) GCGRGIPRTDP1L3MBTL1KMT2A
SCHEMBL719768 0.83 GCGR (0.56) GCGRGIPRGLP1RGCG
SCHEMBL10242831 0.82 MEN1 (0.38) GCGRGIPRKMT2AMEN1GLP1R
SCHEMBL717370 0.82 GCGR (0.42) GCGRGIPRTDP1L3MBTL1KMT2A
SCHEMBL719341 0.81 SLC6A9 (0.41) GCGRGIPRL3MBTL1KMT2AMEN1

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 2 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-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 GCGR 90/4885GIPR 41/4885TDP1 4750/4885

“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.