SCHEMBL2200981

SCHEMBL2200981

C#CCO[C@H]1C[C@H](COc2ccccc2Cl)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
SSTR4 P31391 7/20 0.36
SSTR1 P30872 5/20 0.36
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35
CACNA1B Q00975 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
SCHEMBL4602522 0.84 L3MBTL1 (0.36) SSTR4SSTR1DPP4PREPFAP
SCHEMBL2202034 0.83 GPR119 (0.39) ABCB1GPR119SSTR4SSTR1CACNB4
SCHEMBL4602385 0.83 GPR119 (0.39) ABCB1GPR119SSTR4SSTR1CACNB4
SCHEMBL2201807 0.83 POLB (0.42) GPR119SSTR4SSTR1DPP4PREP
SCHEMBL4603500 0.83 POLB (0.42) GPR119SSTR4SSTR1DPP4PREP
SCHEMBL2547741 0.82 ITGA4 (0.41) GPR119SSTR4SSTR1GRM2
SCHEMBL29007980 0.75 DPP4 (0.48) SSTR4SSTR1DPP4PREPFAP
SCHEMBL18936262 0.74 ABHD6 (0.55) ABCB1DPP4ABHD6DAGLA
SCHEMBL8702993 0.74 ABCB1 (0.50) ABCB1GPR119
SCHEMBL8707194 0.72 ABCB1 (0.51) ABCB1GPR119

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912994-B1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-03-12 EP disclosed
US-7977343-B2 Adenine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-07-12 US disclosed
US-20100160352-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-24 US disclosed
EP-1912994-A1 ADENINE DERIVATIVES Merck Patent GmbH (DE) 2008-04-23 EP disclosed
WO-2007017069-A1 ADENINE DERIVATIVES MERCK PATENT GMBH (DE) 2007-02-15 WO 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-20100160352-A1 ADENINE DERIVATIVES HSP90AA1, TRAP1, HSP90AB1 ABCB1 64/4885GPR119 2275/4885SSTR4 4877/4885

“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.