SCHEMBL4932373

SCHEMBL4932373

O=C(O)CC(C(=O)O)C1CNCCc2c1ccc(Cl)c2NCc1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.35
BDKRB1 P46663 3/20 0.34
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
MCHR1 Q99705 1/20 0.33
GAA P10253 2/20 0.33
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 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 0.99 HRH3 (0.34) HRH3BDKRB1CHRM1HTR2AMCHR1
SCHEMBL4248109 0.85 NPC1 (0.33) POLBSMN1; SMN2ALDH1A1
SCHEMBL4245040 0.84 NPC1 (0.32) ALDH1A1
SCHEMBL4245052 0.83 MEN1 (0.40) ALDH1A1
SCHEMBL4243952 0.82 FFAR1 (0.30)
SCHEMBL4247987 0.82
SCHEMBL4245386 0.81 PPARG (0.35) SMN1; SMN2
SCHEMBL4240410 0.81
SCHEMBL4249154 0.81 HPGD (0.43) GAAPOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4243003 0.81 HDAC3 (0.35) POLBSMN1; SMN2ALDH1A1

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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 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-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A HRH3 394/4885BDKRB1 263/4885CHRM1 522/4885

“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.