SCHEMBL2201807

SCHEMBL2201807

CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1COc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SSTR4 P31391 7/20 0.40
SSTR1 P30872 5/20 0.40
GPR119 Q8TDV5 1/20 0.39
GRM2 Q14416 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRC P12931 4/20 0.37
RIPK1 Q13546 1/20 0.37
DPP4 P27487 1/20 0.37
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
TSHR P16473 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
SCHEMBL4603500 1.00 POLB (0.42) POLBCYP1A2CYP3A4CYP2C19SSTR4
SCHEMBL2547741 0.88 ITGA4 (0.41) SSTR4SSTR1GPR119GRM2
SCHEMBL8059551 0.84 CYP1A2 (0.45) POLBCYP1A2CYP3A4CYP2C19MEN1
SCHEMBL2200981 0.83 ABCB1 (0.39) SSTR4SSTR1GPR119GRM2SRC
SCHEMBL2202034 0.83 GPR119 (0.39) SSTR4SSTR1GPR119GRM2MEN1
SCHEMBL4602385 0.83 GPR119 (0.39) SSTR4SSTR1GPR119GRM2MEN1
SCHEMBL8708455 0.82 CYP3A4 (0.44) POLBCYP1A2CYP3A4CYP2C19SRC
SCHEMBL8708462 0.82 CYP3A4 (0.44) POLBCYP1A2CYP3A4CYP2C19SRC
SCHEMBL29007980 0.81 DPP4 (0.48) SSTR4SSTR1MEN1KMT2ADPP4
SCHEMBL9068225 0.81 PTGER1 (0.40) POLBCYP1A2CYP3A4CYP2C19SRC

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
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

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 POLB 1823/4885CYP1A2 711/4885CYP3A4 2562/4885

“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.