SCHEMBL1817850

SCHEMBL1817850

CN1C(=O)N(Cc2ccc(-c3ccc4c(c3)CN(CC(C)(C)CO)C4=O)cc2)C(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 7/20 0.34
HRH3 Q9Y5N1 6/20 0.33
KCNH2 Q12809 3/20 0.33
HTR1A P08908 1/20 0.33
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL6872946 0.89 PRF1 (0.34) PRF1HRH3KCNH2HTR1APSEN1
SCHEMBL6873262 0.88 HDAC3 (0.38) PRF1HRH3KCNH2PSEN1PSEN2
SCHEMBL6872943 0.86 PRF1 (0.43) PRF1HRH3KCNH2HTR1A
SCHEMBL1818849 0.85 PSEN1 (0.40) PRF1HRH3KCNH2PSEN1PSEN2
SCHEMBL1816500 0.84 PRF1 (0.42) PRF1HRH3KCNH2PSEN1PSEN2
SCHEMBL1814074 0.83 HRH3 (0.36) PRF1HRH3KCNH2CTSKCTSC
SCHEMBL1819977 0.82 CTSC (0.40) PRF1CTSKCTSC
SCHEMBL1819511 0.82 MAPK1 (0.37) HRH3KCNH2CTSKCTSC
SCHEMBL12004008 0.81 PRF1 (0.34) PRF1HRH3KCNH2HTR1ACTSK
SCHEMBL12004020 0.80 PRF1 (0.35) PRF1HRH3KCNH2

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 13 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
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 PRF1 4863/4885HRH3 596/4885KCNH2 1168/4885

“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.