SCHEMBL1814852

SCHEMBL1814852

CCOC(=O)CN(C)c1ccc(Br)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.47
KMT2A Q03164 7/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
S1PR4 O95977 1/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
HCAR3 P49019 1/20 0.40
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FPR2 P25090 2/20 0.37

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
SCHEMBL20755003 0.84 HCAR3 (0.41) KMT2AMAPTMEN1HCAR3ALDH1A1
SCHEMBL3254096 0.77 LMNA (0.51) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL20406350 0.76 PDE10A (0.39) KMT2AMAPTMEN1LMNAMAPK1
SCHEMBL12764804 0.76 KMT2A (0.48) GBA1KMT2AMAPTMEN1NPSR1
SCHEMBL24100191 0.75 GBA1 (0.53) GBA1KMT2AMAPTMEN1NPSR1
SCHEMBL1769104 0.75 HSD17B10 (0.45) KMT2AMAPTMEN1NPSR1S1PR4
SCHEMBL1816461 0.75 KMT2A (0.41) GBA1KMT2AMAPTMEN1NPSR1
SCHEMBL1433090 0.74 GBA1 (0.69) GBA1KMT2AMAPTLMNAMAPK1
SCHEMBL29852351 0.74 CA12 (0.37) MAPTLMNAALDH1A1SMN1; SMN2CA12
SCHEMBL16278189 0.74 CYP4F2 (0.46) GBA1KMT2AMAPTMEN1NPSR1

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-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
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 GBA1 443/4885KMT2A 1520/4885MAPT 1276/4885

“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.