SCHEMBL1814732

SCHEMBL1814732

CCN1Cc2cc(-c3ccc(CN4C(=O)N(CC)C(=O)C4(C)C)cc3)ccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
PRF1 P14222 3/20 0.40
GRM5 P41594 1/20 0.37
GRM1 Q13255 1/20 0.37
PRMT5 O14744 4/20 0.35
WDR77 Q9BQA1 4/20 0.35
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
TNIK Q9UKE5 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL1818770 0.93 PRF1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6877166 0.91 PRMT5 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6873321 0.90 HDAC3 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1828754 0.90 MAPK1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1818849 0.89 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1818356 0.89 CTSC (0.39) PRF1PRMT5WDR77HTR1AHTR7
SCHEMBL6872946 0.88 PRF1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1817558 0.87 KCNH2 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1815304 0.86 GRM5 (0.36) GRM5GRM1PRMT5WDR77HDAC4
SCHEMBL6877162 0.84 CYP2C9 (0.38) GRM5GRM1PRMT5WDR77

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 12 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 claimed
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP claimed
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US claimed
WO-2011051490-A2 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2011-05-05 WO claimed
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
EP-2496569-A2 HETEROCYCLIC DERIVATIVES MSD Oss B.V. (NL) 2012-09-12 EP 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 PSEN1 2318/4885PSEN2 1903/4885APH1B 2665/4885

“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.