SCHEMBL4245394

SCHEMBL4245394

CN(c1ccc2c(c1)CCC(C)(C)O2)c1c(Cl)ccc2c1CCNCC2C(CC(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 10/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KCNH2 Q12809 2/20 0.34
NR1I2 O75469 1/20 0.34
DAGLB Q8NCG7 1/20 0.34
ABHD6 Q9BV23 2/20 0.33
SCN9A Q15858 1/20 0.31
CTSB P07858 1/20 0.31
KMT2A Q03164 1/20 0.30
OPRM1 P35372 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
Succinic Acid SCHEMBL506423 0.79 DAGLA (0.39) DAGLACYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4243709 0.76 KCNH2 (0.34) KCNH2
SCHEMBL4248965 0.75 LTC4S (0.39)
SCHEMBL4240409 0.70 SLC6A2 (0.32) KCNH2
SCHEMBL4244144 0.67 UGCG (0.35) CYP3A4CYP2D6KCNH2
Succinic Acid SCHEMBL507817 0.65 SLC6A9 (0.39)
SCHEMBL5108376 0.64 MEN1 (0.34) KMT2A
SCHEMBL5108162 0.63 HTR2B (0.35)
SCHEMBL5109548 0.63 HTR2C (0.34)
SCHEMBL5109414 0.63 HTR2C (0.31) KCNH2

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 DAGLA 3608/4885CYP3A4 613/4885CYP2D6 567/4885

“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.