SCHEMBL1818136

SCHEMBL1818136

O=C1CN(Cc2ccc(Br)cn2)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 4/20 0.43
CRBN Q96SW2 4/20 0.43
GRM2 Q14416 1/20 0.38
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
ENPP2 Q13822 2/20 0.33
EPHX2 P34913 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GBA1 P04062 1/20 0.33
FPR2 P25090 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL1815809 0.77 ENPP2 (0.41) GRM2ENPP2RXFP1GBA1TSHR
SCHEMBL21382596 0.76 ALDH1A1 (0.46) DDB1CRBNGRM2MEN1KMT2A
SCHEMBL840894 0.76 EPHX2 (0.47) DDB1CRBNGRM2EPHX2GAA
SCHEMBL9364498 0.75 CRBN (0.73) DDB1CRBNEPHX2MEN1KMT2A
SCHEMBL23269478 0.73 GABRG2 (0.43) GRM2MEN1KMT2ATSHR
SCHEMBL15206345 0.72 KMT2A (0.40) GRM2KMT2AALDH1A1KDM4E
SCHEMBL29348965 0.72 L3MBTL1 (0.48) GRM2KMT2A
SCHEMBL31637556 0.72 L3MBTL1 (0.48) GRM2KMT2A
SCHEMBL21382619 0.70 GSK3A (0.47) GRM2RXFP1MEN1KMT2AGBA1
SCHEMBL31068302 0.70 GRIN1 (0.43) GRM2TSHR

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 9 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 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 DDB1 4203/4885CRBN 4181/4885GRM2 12/4885

“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.