SCHEMBL4464375

SCHEMBL4464375

CCCc1cc(Cl)c(C(=O)OCC)c([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DPP4 P27487 1/20 0.37
ADORA1 P30542 1/20 0.37
TACR1 P25103 2/20 0.37
MC4R P32245 3/20 0.34
GPR119 Q8TDV5 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 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
SCHEMBL4464380 1.00 PDE4B (0.40) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL4458666 0.91 PDE4B (0.46) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL4458668 0.91 PDE4B (0.46) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL5573343 0.80 DPP4 (0.35) PDE4BALDH1A1LMNASMN1; SMN2DPP4
SCHEMBL4480859 0.80 MAPT (0.41) ALDH1A1MEN1LMNAGAAKMT2A
SCHEMBL5574113 0.75 MEN1 (0.45) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL4465349 0.75 MEN1 (0.45) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL4465346 0.75 MEN1 (0.45) PDE4BTP53POLBALDH1A1MEN1
SCHEMBL23216432 0.73 PDE4B (0.48) PDE4BDPP4TACR1MC4R
SCHEMBL24946334 0.73 PDE4B (0.48) PDE4BDPP4TACR1MC4R

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 PDE4B 592/4885TP53 4865/4885POLB 1382/4885

“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.