SCHEMBL2636005

SCHEMBL2636005

NC(=O)C(Oc1cc(C(=O)O)cc2cc(Cl)cc(Cl)c12)c1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR3 Q99500 1/20 0.35
KMO O15229 7/20 0.35
SLC6A4 P31645 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
GAA P10253 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CTRC Q99895 1/20 0.32
TTR P02766 1/20 0.32
CACNA1B Q00975 1/20 0.32
BRD4 O60885 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
SCHEMBL2635397 0.80 TRPM8 (0.39) SLC6A4NPC1RAB9AGAANFKB1
SCHEMBL2635422 0.78 PPARA (0.51) MAPTTTR
SCHEMBL2635376 0.74 GRM4 (0.47) NPC1RAB9AGAANFKB1NFKB2
SCHEMBL2636006 0.71 RAB9A (0.64) NPC1RAB9AGAANFKB1NFKB2
SCHEMBL2635551 0.70 TRPM8 (0.36)
SCHEMBL2636073 0.69 RAB9A (0.53) NPC1RAB9AMAPTPKM
SCHEMBL2635965 0.68 TDP1 (0.51) NPC1RAB9AMAPT
SCHEMBL14744028 0.68 GRM4 (0.53) GAAMAPT
SCHEMBL14743489 0.68 GAA (0.41) NPC1RAB9AGAA
SCHEMBL2635425 0.67 MRGPRX4 (0.64) NPC1RAB9ANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 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-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 S1PR2 1748/4885S1PR4 2965/4885S1PR3 2349/4885

“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.