SCHEMBL4472649

SCHEMBL4472649

COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1c1cccc(C(F)(F)F)c1C(=O)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.48
TACR1 P25103 3/20 0.40
RORC P51449 1/20 0.39
LIPE Q05469 2/20 0.37
SOS1 Q07889 1/20 0.36
USP30 Q70CQ3 1/20 0.35
RBP4 P02753 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL4472653 1.00 PDE4B (0.48) PDE4BTACR1RORCLIPESOS1
SCHEMBL4475292 0.91 RORC (0.42) PDE4BTACR1RORCLIPESOS1
SCHEMBL4475295 0.91 RORC (0.42) PDE4BTACR1RORCLIPESOS1
SCHEMBL5576800 0.89 RBP4 (0.39) PDE4BRBP4
SCHEMBL4461637 0.84 TACR1 (0.45) PDE4BTACR1RORCLIPEUSP30
SCHEMBL4461632 0.84 TACR1 (0.45) PDE4BTACR1RORCLIPEUSP30
SCHEMBL4470056 0.79 F10 (0.41) RBP4
SCHEMBL4470062 0.79 F10 (0.41) RBP4
SCHEMBL4472363 0.78 MC4R (0.32) TACR1RORCLIPEUSP30
SCHEMBL23951713 0.76 PDE4B (0.58) PDE4BTACR1RORCUSP30GPR119

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 592/4885TACR1 59/4885RORC 2282/4885

“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.