SCHEMBL12983593

SCHEMBL12983593

COCC1CN(c2nccc(C)c2C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ RBP4 P02753 7/20 0.37
▸ TTR P02766 4/20 0.37
▸ PDE10A Q9Y233 2/20 0.35
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33

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
SCHEMBL12983861 0.81 FFAR2 (0.44) —
SCHEMBL12983675 0.81 FFAR2 (0.44) —
SCHEMBL12983252 0.76 PRKAB2 (0.41) PDE10A
SCHEMBL12983867 0.75 IDH1 (0.40) MAPK1
SCHEMBL12983843 0.74 IDH1 (0.39) HCRTR1HCRTR2
SCHEMBL12984089 0.74 IDH1 (0.39) HCRTR1HCRTR2
SCHEMBL12983927 0.72 ADORA2A (0.46) —
SCHEMBL12984767 0.72 ADORA2A (0.46) —
SCHEMBL31214575 0.71 PROKR1 (0.36) CHRM4PDE10A
SCHEMBL25389487 0.70 KMT2A (0.40) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278103-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2016-03-08 — — US disclosed
US-9168259-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators Grünenthal GmbH (DE) 2015-10-27 — — US disclosed
US-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUNENTHAL GMBH (DE) 2014-07-31 — — US disclosed
US-8552200-B2 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2013-10-08 — — US disclosed
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2012-10-11 — — US 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 (2 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-20140213569-A1 Substituted 6-amino-nicotinamides as KCNQ2/3 modulators KCNQ2, KCNQ1, KCNQ3 CHRM4 846/4885CDK8 1708/4885MAPK1 1908/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 CHRM4 846/4885CDK8 1708/4885MAPK1 1908/4885

“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.

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