SCHEMBL5086202

SCHEMBL5086202

COc1cc(N)c2nc(C(C)CCCN)ccc2c1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 3/20 0.36
EHMT1 Q9H9B1 3/20 0.36
CNR2 P34972 6/20 0.34
CNR1 P21554 5/20 0.34
ADORA2A P29274 2/20 0.33
HTR2A P28223 2/20 0.32
DNMT1 P26358 1/20 0.31
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30

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
SCHEMBL4725459 0.99 EHMT2 (0.35) EHMT2EHMT1CNR2CNR1ADORA2A
SCHEMBL5084092 0.83 EHMT1 (0.36) EHMT2EHMT1CNR2CNR1ADORA2A
SCHEMBL4726519 0.82 EHMT2 (0.35) EHMT2EHMT1CNR2CNR1ADORA2A
SCHEMBL4780864 0.81 CYP1A2 (0.33) PDE3A
SCHEMBL4729342 0.77 PDE3B (0.39) CNR2CNR1ADORA2APDE3BPDE3A
SCHEMBL4726151 0.76 PDE3B (0.40) CNR2CNR1ADORA2APDE3BPDE3A
SCHEMBL4727650 0.75 RAD52 (0.34) EHMT2EHMT1ADORA2AHTR2APDE3A
SCHEMBL5084097 0.74 MAOA (0.43) PDE3A
SCHEMBL4726521 0.73 MAOA (0.44) PDE3A
SCHEMBL6269582 0.70 KDM4E (0.46) PDE3A

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
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6979740-B2 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH (IN) 2005-12-27 US disclosed
EP-1606263-A1 RING-SUBSTITUTED 8-AMINOQUINOLINE DERIVATIVES AS ANTIMALARIAL AGENTS Council of Scientific and Industrial Research (IN) 2005-12-21 EP disclosed
WO-2004085402-A1 RING-SUBSTITUTED 8-AMINOQUNOLINE DERIVATES AS ANTIMALARIAL AGENTS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-07 WO disclosed
US-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents NATIONAL INSTITUTE OF PHARMACEUTICAL EDUCATION AND RESEARCH DEPARTMENT OF PHARMACEUTICAL TECHNOLOGY (IN) 2004-09-30 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 (2 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-20040192724-A1 Process for preparation of ring-substituted 8-aminoquinoline analogs as antimalarial agents QDPR, SLC11A2, CYP2C8 EHMT2 1276/4885EHMT1 1472/4885CNR2 2976/4885
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN EHMT2 350/4885EHMT1 377/4885CNR2 2267/4885

“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.