SCHEMBL4198490

SCHEMBL4198490

CN(CCO)c1ccc2c(n1)CCN(C(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP3 Q96P20 1/20 0.36
HCAR3 P49019 1/20 0.34
KDM4E B2RXH2 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TPH1 P17752 1/20 0.32
POLB P06746 1/20 0.32
NAPEPLD Q6IQ20 1/20 0.32
PDE10A Q9Y233 4/20 0.32
PIK3CA P42336 1/20 0.32
GRM5 P41594 3/20 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
SCHEMBL13568084 0.84 NR1H2 (0.46) NPC1RAB9APOLBPDE10AGRM5
SCHEMBL4214604 0.82 HSP90AA1 (0.33) MEN1KMT2ANLRP3KDM4ENPC1
SCHEMBL4206385 0.81 NOTUM (0.34) MEN1KMT2ANLRP3KDM4ENPC1
SCHEMBL4195094 0.75 HTR2C (0.36) POLBHRH3
SCHEMBL4204473 0.75 NR1H2 (0.46) NPC1RAB9APDE10AGRM5
SCHEMBL4201295 0.74 KDM4A (0.37) MEN1KMT2ANLRP3KDM4ENPC1
SCHEMBL4212658 0.72 NR1H2 (0.43) NPC1RAB9APDE10AGRM5
SCHEMBL4011215 0.72 GRM5 (0.36) MEN1KMT2ANPC1RAB9AGRM5
SCHEMBL4201235 0.71 NR1H2 (0.47) NPC1RAB9APDE10AGRM5
SCHEMBL28935833 0.71 GRM5 (0.37) MEN1KMT2ANPC1RAB9AGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 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 (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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A MEN1 1841/4885KMT2A 1907/4885NLRP3 3157/4885

“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.