SCHEMBL4472363

SCHEMBL4472363

CC(C)OC(=O)c1c(C2CN(C(=O)OC(C)(C)C)CC2C(=O)N2C3CC4CCC3(CS2(=O)=O)C4(C)C)cccc1C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.32
F2 P00734 2/20 0.31
HSD11B1 P28845 2/20 0.31
LIPE Q05469 2/20 0.31
USP30 Q70CQ3 1/20 0.31
TACR1 P25103 2/20 0.31
RORC P51449 1/20 0.30

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 0.78 PDE4B (0.48) LIPEUSP30TACR1RORC
SCHEMBL4472649 0.78 PDE4B (0.48) LIPEUSP30TACR1RORC
SCHEMBL4475295 0.78 RORC (0.42) MC4RLIPEUSP30TACR1RORC
SCHEMBL4475292 0.78 RORC (0.42) MC4RLIPEUSP30TACR1RORC
SCHEMBL4461637 0.69 TACR1 (0.45) LIPEUSP30TACR1RORC
SCHEMBL4461632 0.69 TACR1 (0.45) LIPEUSP30TACR1RORC
SCHEMBL5576800 0.68 RBP4 (0.39)
SCHEMBL18059470 0.61 ADAMTS5 (0.33)
SCHEMBL5575782 0.61 HTRA1 (0.33) TACR1
SCHEMBL4473457 0.60 MC4R (0.40) MC4RRORC

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 MC4R 45/4885F2 307/4885HSD11B1 1441/4885

“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.