SCHEMBL4206385

SCHEMBL4206385

CC(=O)N(C)c1ccc2c(n1)CCN(C(=O)O)CC2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NLRP3 Q96P20 1/20 0.33
GRM5 P41594 4/20 0.32
ENPP2 Q13822 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ELANE P08246 1/20 0.32
BCL2 P10415 1/20 0.31
USP14 P54578 1/20 0.31
QRFPR Q96P65 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTGS1 P23219 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
SCHEMBL13568094 0.83 NR1H2 (0.48) GRM5NPC1RAB9A
SCHEMBL4214604 0.83 HSP90AA1 (0.33) KDM4EMEN1KMT2ANLRP3GRM5
SCHEMBL4198490 0.81 MEN1 (0.36) KDM4EMEN1KMT2ANLRP3GRM5
SCHEMBL4201295 0.77 KDM4A (0.37) NOTUMKDM4EMEN1KMT2ANLRP3
SCHEMBL4201311 0.76 HTR2C (0.36) ELANE
SCHEMBL4011215 0.75 GRM5 (0.36) NOTUMMEN1KMT2AGRM5ENPP2
Hydrochloric Acid SCHEMBL4196496 0.75 HTR2C (0.35) ELANE
SCHEMBL4203495 0.75 GRM5 (0.38) NOTUMGRM5ENPP2NPC1RAB9A
SCHEMBL28935833 0.74 GRM5 (0.37) NOTUMMEN1KMT2AGRM5NPC1
SCHEMBL4208644 0.73 NOTUM (0.36) NOTUMKDM4EMEN1KMT2AGRM5

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 NOTUM 4402/4885KDM4E 2942/4885MEN1 1841/4885

“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.