SCHEMBL3397752

SCHEMBL3397752

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.39
NR1I2 O75469 1/20 0.36
F2 P00734 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
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
NQO2 P16083 1/20 0.34
OXER1 Q8TDS5 2/20 0.34
MAPT P10636 2/20 0.34
PHGDH O43175 3/20 0.34
GCG P01275 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL717614 0.98 CCKBR (0.38) CCKBRNR1I2F2ADORA3SLC6A2
SCHEMBL3427810 0.92 GCG (0.39) CCKBRF2OXER1PHGDHGCG
SCHEMBL720029 0.86 GCGR (0.43) MAPTGCGGCGRGIPRKCNH2
SCHEMBL722052 0.85 GCGR (0.48) CCKBRGCGRGIPRKCNH2
SCHEMBL719157 0.84 GCGR (0.51) MAPTGCGRGIPRKCNH2
SCHEMBL718652 0.82 OXER1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL721063 0.82 MAPT (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL721555 0.77 GCGR (0.55) MAPTGCGGCGRGIPRKCNH2
SCHEMBL9070788 0.73 GCGR (0.38) OXER1GCGGCGRGIPRKCNH2
SCHEMBL720030 0.70 KMT2A (0.43) MAPTMEN1HPGDKMT2A

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 3 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
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 (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-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CCKBR 124/4885NR1I2 1636/4885F2 1682/4885

“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.