SCHEMBL2596243

SCHEMBL2596243

CC(C)(C)OC(=O)N(CCc1ccc(N)cc1Cl)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.39
KCNQ4 P56696 3/20 0.37
KCNQ5 Q9NR82 3/20 0.37
CHEK1 O14757 1/20 0.37
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
SSTR4 P31391 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
EGFR P00533 2/20 0.35
ERBB2 P04626 2/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM3 P20309 1/20 0.35
MAOA P21397 1/20 0.35
HTR2C P28335 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35

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
SCHEMBL2589901 0.84 NR1D1 (0.41) KCNH2
SCHEMBL2595468 0.82 HDAC1 (0.41) GRM2KCNQ4KCNQ5SSTR4HDAC3
SCHEMBL16682328 0.78 ADRB3 (0.44) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL2589883 0.77 SNCA (0.42) KCNQ4KCNQ5NR1H4
SCHEMBL27915457 0.77 CHRM2 (0.37) CHEK1EPHX2NR1H4CHRM2CHRM3
SCHEMBL2259362 0.77 ROCK1 (0.48) GRM2KCNQ4KCNQ5SSTR4HDAC3
SCHEMBL18067962 0.77 HDAC3 (0.46) EPHX2SSTR4HDAC3HDAC1HDAC2
SCHEMBL14965514 0.76 HTR4 (0.37) EPHX2NR1H4
SCHEMBL18067948 0.76 ADRB3 (0.42) SSTR4HDAC3HDAC1HDAC2NCOR2
SCHEMBL4744310 0.76 SSTR4 (0.56) GRM2KCNQ4KCNQ5SSTR4HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E GRM2 2604/4885KCNQ4 617/4885KCNQ5 843/4885

“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.