SCHEMBL29860086

SCHEMBL29860086

O=C1Nc2c(Cl)cccc2C12CCOCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.46
PDE7B Q9NP56 1/20 0.46
EPHX2 P34913 1/20 0.40
AHR P35869 1/20 0.39
PGR P06401 4/20 0.38
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
NSD2 O96028 1/20 0.37
BCHE P06276 1/20 0.37
DAO P14920 1/20 0.37
CES1 P23141 1/20 0.37
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
CYP2A13 Q16696 1/20 0.35
MAPT P10636 1/20 0.34
SLC6A4 P31645 3/20 0.33
OPRK1 P41145 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL26666548 1.00 PDE7A (0.46) PDE7APDE7BEPHX2AHRPGR
SCHEMBL29860150 0.89 PDE7A (0.51) PDE7APDE7BAHRPGRGRIN1
SCHEMBL26666417 0.89 PDE7A (0.51) PDE7APDE7BAHRPGRGRIN1
SCHEMBL4720372 0.84 PDE7A (0.59) PDE7APDE7BAHRPGRGRIN1
SCHEMBL31436482 0.83 PDE7A (0.47) PDE7APDE7BAHRPGRGRIN1
SCHEMBL31383937 0.81 PDE7A (0.47) PDE7AEPHX2PGRHTR1AHTR2A
SCHEMBL1233679 0.73 BACE1 (0.58) EPHX2HTR1AHTR2AHTR7HTR6
SCHEMBL28391910 0.69 PDE7A (0.45) PDE7APDE7BAHRGRIN1GRIN2A
SCHEMBL2269040 0.69 PDK2 (0.61) PDE7APDE7BEPHX2AHRPGR
SCHEMBL31436455 0.69 STS (0.45) OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF HANGZHOU APELOA MEDICINE RESEARCH INSTITUTE CO., LTD. (CN) 2024-05-09 US disclosed
CN-116997550-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same and application thereof 杭州普洛药物研究院有限公司 2023-11-03 CN disclosed
CN-114853659-A N- (benzoyl) -phenylalanine compounds, pharmaceutical compositions containing same, and uses thereof 普洛药业股份有限公司 2022-08-05 CN 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-20240150287-A1 N-(BENZOYL)-PHENYLALANINE COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF ITGB7, ITGB4, ITGA4 PDE7A 139/4885PDE7B 327/4885EPHX2 1622/4885

“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.