SCHEMBL1817558

SCHEMBL1817558

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
PRF1 P14222 1/20 0.38
PRMT5 O14744 5/20 0.36
WDR77 Q9BQA1 5/20 0.36
GRM5 P41594 1/20 0.35
GRM1 Q13255 1/20 0.35
SDCBP O00560 2/20 0.33
SDC2 P34741 2/20 0.33
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CCND1 P24385 1/20 0.32
CDK6 Q00534 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
SCHEMBL1815621 0.88 KCNH2 (0.41) KCNH2PRF1GRM5GRM1SDCBP
SCHEMBL1818356 0.87 CTSC (0.39) PRF1PRMT5WDR77SDCBPSDC2
SCHEMBL1814732 0.87 PSEN1 (0.40) PRF1PRMT5WDR77GRM5GRM1
SCHEMBL6877166 0.86 PRMT5 (0.37) KCNH2PRF1PRMT5WDR77GRM5
SCHEMBL1818770 0.84 PRF1 (0.41) PRF1PRMT5WDR77GRM5GRM1
SCHEMBL1815304 0.83 GRM5 (0.36) PRMT5WDR77GRM5GRM1
SCHEMBL6873321 0.82 HDAC3 (0.36) PRF1PRMT5WDR77GRM5GRM1
SCHEMBL1828754 0.82 MAPK1 (0.35) KCNH2PRF1PRMT5WDR77GRM5
SCHEMBL6877162 0.82 CYP2C9 (0.38) PRMT5WDR77GRM5GRM1
SCHEMBL1819453 0.81 ENPP2 (0.43) KCNH2PRF1GRM5GRM1PSEN1

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 10 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
US-20120220622-A1 HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME B.V. (NL) 2012-08-30 US 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 KCNH2 1168/4885PRF1 4863/4885PRMT5 1621/4885

“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.