SCHEMBL6877164

SCHEMBL6877164

CCN1C(=O)CN(Cc2ccc(-c3ccc4c(c3)CN(CC(C)C)C4=O)cc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.40
HDAC6 Q9UBN7 6/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
TNIK Q9UKE5 1/20 0.35
GABRA1 P14867 1/20 0.34
PRF1 P14222 1/20 0.34

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
SCHEMBL1816206 0.90 PSEN1 (0.42) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL1819054 0.87 ENPP2 (0.42) ENPP2HDAC6HDAC1TNIKGABRA1
SCHEMBL1818110 0.87 HDAC6 (0.43) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL1819453 0.86 ENPP2 (0.43) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL6875025 0.85 PSEN1 (0.38) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL1815851 0.85 CTSC (0.40) ENPP2HDAC6HDAC1HDAC2HDAC8
SCHEMBL1817499 0.84 ENPP2 (0.37) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL1814937 0.84 HDAC1 (0.39) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL6875401 0.83 PPARG (0.37) ENPP2HDAC6PSEN1PSEN2APH1B
SCHEMBL6877166 0.82 PRMT5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-8507521-B2 Heterocyclic derivatives Merck Sharp + Dohme B.V. (NL) 2013-08-13 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US disclosed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 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-20120220622-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIN3A, GRIN2D ENPP2 2659/4885HDAC6 530/4885PSEN1 2318/4885

“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.