SCHEMBL12983675

SCHEMBL12983675

COC[C@@H]1CN(c2nccc(C)c2C(=O)O)CCO1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.44
▸ LRRK2 Q5S007 6/20 0.41
▸ SYK P43405 2/20 0.41
▸ PDK1 Q15118 2/20 0.38
▸ EIF2AK4 Q9P2K8 1/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ TTK P33981 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 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
SCHEMBL12983861 1.00 FFAR2 (0.44) FFAR2LRRK2SYKPDK1EIF2AK4
SCHEMBL12983867 0.89 IDH1 (0.40) FFAR2LRRK2SYKEIF2AK4TTK
SCHEMBL12983927 0.87 ADORA2A (0.46) LRRK2SYKEIF2AK4TTKADORA2A
SCHEMBL12984767 0.87 ADORA2A (0.46) LRRK2SYKEIF2AK4TTKADORA2A
SCHEMBL12983593 0.81 CHRM4 (0.39) —
SCHEMBL12983843 0.76 IDH1 (0.39) PDK1HRH3
SCHEMBL12984089 0.76 IDH1 (0.39) PDK1HRH3
SCHEMBL12983252 0.75 PRKAB2 (0.41) FFAR2
SCHEMBL10332985 0.72 LRRK2 (0.48) FFAR2LRRK2SYKPDK1
SCHEMBL25861506 0.70 IRAK4 (0.46) IRAK4

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 FFAR2 1057/4885LRRK2 2501/4885SYK 4095/4885
US-20120258947-A1 SUBSTITUTED 6-AMINO-NICOTINAMIDES AS KCNQ2/3 MODULATORS KCNQ2, KCNQ1, KCNQ3 FFAR2 1057/4885LRRK2 2501/4885SYK 4095/4885

“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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