SCHEMBL4243300

SCHEMBL4243300

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1cncc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 4/20 0.38
CDK9 P50750 3/20 0.38
ADORA2B P29275 6/20 0.34
ADORA2A P29274 6/20 0.34
ADORA1 P30542 1/20 0.34
CD274 Q9NZQ7 1/20 0.33
NTRK1 P04629 4/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32

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 0.81 HRH3 (0.34)
SCHEMBL4240983 0.81 WDR5 (0.35) NTRK1
SCHEMBL4932373 0.80 HRH3 (0.35)
SCHEMBL4243728 0.80 PPARG (0.40) NTRK1
SCHEMBL4243737 0.79 PDE5A (0.35)
SCHEMBL4245052 0.79 MEN1 (0.40)
SCHEMBL4240290 0.79 HPGD (0.40)
SCHEMBL4245040 0.78 NPC1 (0.32)
SCHEMBL4246201 0.78 CDK9 (0.36) CDK9
SCHEMBL4247402 0.78 ITGB3 (0.36) NTRK1

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 CCNT1 2560/4885CDK9 2900/4885ADORA2B 233/4885

“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.