SCHEMBL4198319

SCHEMBL4198319

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NLRP3 Q96P20 1/20 0.34
PROKR1 Q8TCW9 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ACACB O00763 3/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL4012536 0.85 ESR2 (0.42)
SCHEMBL4195038 0.85 ESR2 (0.42)
SCHEMBL4202688 0.85 ESR2 (0.42)
SCHEMBL4390364 0.74 PARP1 (0.36) KMT2APOLBMAPTALDH1A1
SCHEMBL13568093 0.73 ESR2 (0.41)
SCHEMBL4203910 0.73 ESR2 (0.45) MAPT
SCHEMBL4015525 0.72 LMNA (0.36) KDM4EMAPTHTTALDH1A1
SCHEMBL4206510 0.72 LMNA (0.36) KDM4EMAPTHTTALDH1A1
SCHEMBL4010642 0.72 LMNA (0.36) KDM4EMAPTHTTALDH1A1
SCHEMBL2910754 0.71 EDNRB (0.34) PROKR1ACACB

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.