SCHEMBL2200803

SCHEMBL2200803

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccccc1F

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.50
FEN1 P39748 1/20 0.50
F2RL3 Q96RI0 2/20 0.47
HPGD P15428 1/20 0.45
SSTR4 P31391 2/20 0.44
OPRD1 P41143 1/20 0.44
FFAR1 O14842 1/20 0.44
SSTR1 P30872 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL2259269 0.89 ALOX5AP (0.49) ALOX5APFEN1F2RL3
SCHEMBL2200755 0.87 CHRNB4 (0.58) ALOX5APFEN1F2RL3OPRD1
SCHEMBL3113607 0.86 DPP4 (0.52) ALOX5APFEN1F2RL3OPRD1FFAR1
SCHEMBL29007980 0.86 DPP4 (0.48) ALOX5APFEN1F2RL3SSTR4OPRD1
SCHEMBL21845257 0.86 ALOX5AP (0.50) ALOX5APFEN1F2RL3
SCHEMBL29960520 0.86 ALOX5AP (0.50) ALOX5APFEN1F2RL3
SCHEMBL7412041 0.86 ALOX5AP (0.50) ALOX5APFEN1F2RL3
SCHEMBL13419700 0.85 ALOX5AP (0.51) ALOX5APFEN1F2RL3
SCHEMBL5154892 0.85 ALOX5AP (0.47) ALOX5APFEN1F2RL3
SCHEMBL2539185 0.84 F2RL3 (0.50) ALOX5APFEN1F2RL3

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 ALOX5AP 3894/4885FEN1 1767/4885F2RL3 3775/4885

“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.