SCHEMBL1818356

SCHEMBL1818356

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 8/20 0.39
CTSK P43235 4/20 0.39
PRF1 P14222 1/20 0.36
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
HTR6 P50406 2/20 0.34
USP1 O94782 1/20 0.34
UGCG Q16739 3/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33

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 0.89 PSEN1 (0.40) PRF1PRMT5WDR77HTR1AHTR7
SCHEMBL1818770 0.89 PRF1 (0.41) PRF1PRMT5WDR77HTR1AHTR7
SCHEMBL1819977 0.88 CTSC (0.40) CTSCCTSKPRF1USP1UGCG
SCHEMBL1817558 0.87 KCNH2 (0.40) PRF1PRMT5WDR77SDCBPSDC2
SCHEMBL1815304 0.86 GRM5 (0.36) PRMT5WDR77
SCHEMBL6877166 0.85 PRMT5 (0.37) PRF1PRMT5WDR77
SCHEMBL1828754 0.84 MAPK1 (0.35) CTSCCTSKPRF1PRMT5WDR77
SCHEMBL6877162 0.84 CYP2C9 (0.38) PRMT5WDR77
SCHEMBL6873321 0.84 HDAC3 (0.36) PRF1PRMT5WDR77HTR1AHTR7
SCHEMBL6872946 0.82 PRF1 (0.34) PRF1PRMT5WDR77HTR1A

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 CTSC 2700/4885CTSK 3527/4885PRF1 4863/4885

“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.