SCHEMBL2202899

SCHEMBL2202899

C=CCC[C@@H]1CC[C@H](COc2ccccc2Cl)N1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.43
PREP P48147 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 1/20 0.36
GRM2 Q14416 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 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
SCHEMBL2544615 0.69 CHRNA3 (0.68) SLC6A4SLC6A2CHRNB4CHRNA3
SCHEMBL1396836 0.69 CHRNA3 (0.68) SLC6A4SLC6A2CHRNB4CHRNA3
SCHEMBL10550803 0.67 GRM2 (0.38) DPP4PREPFAPDPP8DPP9
SCHEMBL1903030 0.66 TSHR (0.51) SLC6A4LMNA
SCHEMBL30216492 0.66 TSHR (0.51) SLC6A4LMNA
SCHEMBL22265724 0.65 SLC6A2 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL2302832 0.64 SSTR4 (0.48) SLC6A4SLC6A2SLC6A3GRM2
Hydrochloric Acid SCHEMBL1475217 0.64 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL1397024 0.64 SLC6A4 (0.40) DPP4PREPFAPDPP8DPP9
SCHEMBL2202363 0.64 SSTR4 (0.40) DPP4PREPFAPDPP8DPP9

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 DPP4 4398/4885PREP 3153/4885FAP 4661/4885

“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.