SCHEMBL2202363

SCHEMBL2202363

O[C@@H]1CN[C@@H](COc2ccccc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
DPP4 P27487 1/20 0.39
PREP P48147 1/20 0.39
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GRM2 Q14416 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
ALK Q9UM73 1/20 0.37
PKM P14618 1/20 0.37
SLC6A3 Q01959 1/20 0.37
POLB P06746 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
SCHEMBL1397024 0.82 SLC6A4 (0.40) SSTR4SLC6A4SLC6A2DPP4PREP
SCHEMBL7845697 0.78 LTA4H (0.47) CHRNB4CHRNA3ALK
SCHEMBL6979570 0.78 LTA4H (0.47) CHRNB4CHRNA3ALK
SCHEMBL2199374 0.77 SLC6A4 (0.39) SSTR4SLC6A4SLC6A2DPP4PREP
Hydrochloric Acid SCHEMBL8708125 0.76 HTR1A (0.48)
SCHEMBL8303860 0.74 CHRNB4 (0.46) SLC6A4SLC6A2GRM2KMT2ACHRNB4
SCHEMBL15603456 0.74 RAB9A (0.44) MEN1KMT2A
Hydrochloric Acid SCHEMBL27342462 0.74 PTGER1 (0.42)
Hydrochloric Acid SCHEMBL27426763 0.74 EGFR (0.37) CHRNB4CHRNA3ALK
Hydrochloric Acid SCHEMBL27343009 0.74 EGFR (0.37) CHRNB4CHRNA3ALK

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 SSTR4 4877/4885SLC6A4 2754/4885SLC6A2 1570/4885

“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.