SCHEMBL4458666

SCHEMBL4458666

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.46
ADORA1 P30542 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
DPP4 P27487 1/20 0.36
TACR1 P25103 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MC4R P32245 3/20 0.34
ALOX15 P16050 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
SCHEMBL4458668 1.00 PDE4B (0.46) PDE4BADORA1TP53POLBMEN1
SCHEMBL4464375 0.91 PDE4B (0.40) PDE4BADORA1TP53POLBMEN1
SCHEMBL4464380 0.91 PDE4B (0.40) PDE4BADORA1TP53POLBMEN1
SCHEMBL5573343 0.88 DPP4 (0.35) PDE4BALDH1A1LMNASMN1; SMN2DPP4
SCHEMBL4480268 0.80 USP30 (0.42) ADORA1MEN1ALDH1A1LMNAKMT2A
SCHEMBL4480273 0.80 USP30 (0.42) ADORA1MEN1ALDH1A1LMNAKMT2A
SCHEMBL23239759 0.74 PDE4B (0.57) PDE4BTACR1PDE4APDE4CPDE4D
SCHEMBL23216555 0.74 PDE4B (0.57) PDE4BTACR1PDE4APDE4CPDE4D
SCHEMBL29885822 0.74 PDE4B (0.57) PDE4BTACR1PDE4APDE4CPDE4D
SCHEMBL6310363 0.73 PDE4B (0.59) PDE4BMEN1KMT2ADPP4

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 4 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
EP-1778225-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-05-02 EP disclosed
WO-2006019886-A2 PYRROLO(OXO)ISOQUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO 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 592/4885ADORA1 148/4885TP53 4865/4885

“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.