SCHEMBL4245386

SCHEMBL4245386

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(OCC(=O)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
LTA4H P09960 1/20 0.33
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MBTPS1 Q14703 2/20 0.32
USP2 O75604 1/20 0.32
REN P00797 1/20 0.32
KDM4A O75164 1/20 0.31
ADIPOR2 Q86V24 1/20 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
SCHEMBL4247816 0.85 HTR2C (0.33)
SCHEMBL4245052 0.85 MEN1 (0.40) PPARGMAPTKMT2ALMNAHDAC6
SCHEMBL4245040 0.84 NPC1 (0.32) NPC1RAB9ALMNAL3MBTL1HDAC6
SCHEMBL4248109 0.83 NPC1 (0.33) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL4239929 0.81 SMN1; SMN2 (0.41) NPC1MAPTRAB9ASMN1; SMN2KMT2A
SCHEMBL4247595 0.81 ACKR3 (0.35) KMT2ALMNA
SCHEMBL4249154 0.79 HPGD (0.43) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4243003 0.79 HDAC3 (0.35) MAPTSMN1; SMN2
SCHEMBL4247579 0.79 HPGD (0.39) NPC1RAB9ASMN1; SMN2LMNAMAPK1
SCHEMBL4243952 0.79 FFAR1 (0.30)

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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 PPARG 1057/4885MAPKAPK2 3418/4885NPC1 2664/4885

“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.