SCHEMBL6877166

SCHEMBL6877166

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.37
WDR77 Q9BQA1 6/20 0.37
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PRF1 P14222 3/20 0.34
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
GABRA1 P14867 1/20 0.33
CCR2 P41597 1/20 0.32
TNIK Q9UKE5 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 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
SCHEMBL1814732 0.91 PSEN1 (0.40) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL1814074 0.88 HRH3 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1818770 0.88 PRF1 (0.41) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL1817558 0.86 KCNH2 (0.40) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL1828754 0.86 MAPK1 (0.35) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL6873321 0.86 HDAC3 (0.36) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL1818356 0.85 CTSC (0.39) PRMT5WDR77PRF1
SCHEMBL6872946 0.83 PRF1 (0.34) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL6877164 0.82 ENPP2 (0.40) PRMT5WDR77PSEN1PSEN2APH1B
SCHEMBL1815304 0.82 GRM5 (0.36) PRMT5WDR77GRM5GRM1

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 PRMT5 1621/4885WDR77 3273/4885PSEN1 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.