SCHEMBL4461637

SCHEMBL4461637

COC(=O)c1c(C2CN(C(=O)OC(C)(C)C)CC2C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.45
PDE4B Q07343 5/20 0.44
RORC P51449 1/20 0.44
USP30 Q70CQ3 2/20 0.40
RBP4 P02753 2/20 0.39
LIPE Q05469 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL4461632 1.00 TACR1 (0.45) TACR1PDE4BRORCUSP30RBP4
SCHEMBL4475295 0.89 RORC (0.42) TACR1PDE4BRORCUSP30RBP4
SCHEMBL4475292 0.89 RORC (0.42) TACR1PDE4BRORCUSP30RBP4
SCHEMBL4472653 0.84 PDE4B (0.48) TACR1PDE4BRORCUSP30RBP4
SCHEMBL4472649 0.84 PDE4B (0.48) TACR1PDE4BRORCUSP30RBP4
SCHEMBL4465368 0.78 FAAH (0.43) RORCRBP4TDP1HTTL3MBTL1
SCHEMBL16780215 0.77 RORC (0.51) TACR1PDE4BRORCUSP30
SCHEMBL13858400 0.77 RORC (0.51) TACR1PDE4BRORCUSP30
SCHEMBL16780217 0.77 RORC (0.51) TACR1PDE4BRORCUSP30
SCHEMBL23924226 0.76 PDE4B (0.48) TACR1PDE4BRORCUSP30LIPE

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 TACR1 59/4885PDE4B 592/4885RORC 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.