SCHEMBL4465346

SCHEMBL4465346

CCOC(=O)c1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE4B Q07343 3/20 0.44
RORC P51449 1/20 0.43
TACR1 P25103 2/20 0.43
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL4465349 1.00 MEN1 (0.45) MEN1KMT2APDE4BRORCTACR1
SCHEMBL5574113 1.00 MEN1 (0.45) MEN1KMT2APDE4BRORCTACR1
SCHEMBL13077736 0.80 PDE4B (0.48) PDE4BRORCTACR1KDM4ENAMPT
SCHEMBL16780715 0.80 PDE4B (0.48) MEN1KMT2APDE4BRORCTACR1
SCHEMBL16780718 0.80 PDE4B (0.48) MEN1KMT2APDE4BRORCTACR1
SCHEMBL3744409 0.80 PDE4B (0.48) PDE4BRORCTACR1KDM4ENAMPT
SCHEMBL16780215 0.80 RORC (0.51) MEN1KMT2APDE4BRORCTACR1
SCHEMBL16780714 0.80 PDE4B (0.48) MEN1KMT2APDE4BRORCTACR1
SCHEMBL13858400 0.80 RORC (0.51) MEN1KMT2APDE4BRORCTACR1
SCHEMBL31450144 0.80 PDE4B (0.48) MEN1KMT2APDE4BRORCTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572805-B2 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY 2006-01-19 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-20060014777-A1 Pyrrolo(oxo)isoquinolines as 5HT ligands HTR2B, OPRD1, HTR1B MEN1 1307/4885KMT2A 4182/4885PDE4B 592/4885

“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.