SCHEMBL4243737

SCHEMBL4243737

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc2ncoc2c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.35
PPARD Q03181 1/20 0.34
MCHR1 Q99705 2/20 0.31
CDK1 P06493 1/20 0.30
KCNH2 Q12809 1/20 0.30
MCHR2 Q969V1 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL4928912 0.80 HRH3 (0.34) MCHR1GAA
SCHEMBL4243300 0.79 CCNT1 (0.38)
SCHEMBL4932373 0.79 HRH3 (0.35) MCHR1ALDH1A1GAA
Succinic Acid SCHEMBL507183 0.78 MEN1 (0.34) PDE5APPARDCDK1MEN1ALDH1A1
SCHEMBL4245052 0.78 MEN1 (0.40) MEN1ALDH1A1KMT2A
SCHEMBL4245386 0.78 PPARG (0.35) KMT2A
SCHEMBL4243728 0.77 PPARG (0.40)
SCHEMBL4245040 0.77 NPC1 (0.32) ALDH1A1
SCHEMBL4249154 0.77 HPGD (0.43) MEN1ALDH1A1GAAKMT2A
SCHEMBL4247816 0.77 HTR2C (0.33)

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 PDE5A 2108/4885PPARD 928/4885MCHR1 138/4885

“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.