SCHEMBL2200111

SCHEMBL2200111

CC(C)(C)OC(=O)N1CCC[C@@H]1COc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.57
LTA4H P09960 7/20 0.55
ALDH1A1 P00352 1/20 0.49
GPR119 Q8TDV5 2/20 0.48

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
SCHEMBL6535662 1.00 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL6536147 1.00 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324159 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4319104 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL990496 0.98 LTA4H (0.58) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4325249 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324215 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4324207 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1GPR119
SCHEMBL4313051 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1
SCHEMBL4313056 0.94 ALOX5AP (0.57) ALOX5APLTA4HALDH1A1

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 3894/4885LTA4H 4115/4885ALDH1A1 717/4885

“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.