SCHEMBL472519

SCHEMBL472519

CC[CH]Cc1sccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.36
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL4550191 0.76
SCHEMBL1823076 0.75
SCHEMBL25547088 0.72
SCHEMBL9558258 0.72 SLC6A3 (0.34) SLC6A3
SCHEMBL9558301 0.71 NPC1 (0.35) SLC6A3MAPTALDH1A1KMT2A
SCHEMBL21158801 0.69 CASP3 (0.38) SLC6A3MAPTALDH1A1HTTKMT2A
SCHEMBL3017954 0.69 SLC6A3 (0.37) SLC6A3ALDH1A1
SCHEMBL2302986 0.69
SCHEMBL27666384 0.68 HTR2A (0.38) SLC6A3ALDH1A1
SCHEMBL472521 0.68 SLC6A3 (0.36) SLC6A3MAPTALDH1A1HTTKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412716-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2012-02-01 EP claimed
CN-101827847-A Purine derivatives as adenosine al receptor ligands NOVARTIS AG 2010-09-08 CN claimed
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 EP claimed
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2003-12-18 US claimed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 WO claimed
US-8927521-B2 Cyclic adenosine monophosphates for reducing the formation of adhesions University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-01-06 US disclosed
CN-101827847-A Purine derivatives as adenosine al receptor ligands NOVARTIS AG 2010-09-08 CN disclosed
WO-2010054068-A2 CYCLIC ADENOSINE MONOPHOSPHATES FOR REDUCING THE FORMATION OF ADHESIONS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-14 WO disclosed
CN-1671728-A Novel adenosine analogues and their use as pharmaceutical agents AVENTIS PHARMA GMBH (DE) 2005-09-21 CN 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-20030232783-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 SLC6A3 2027/4885MAPT 4512/4885ALDH1A1 314/4885

“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.