SCHEMBL4473457

SCHEMBL4473457

CC(C)OC(=O)c1c(C2CN(Cc3ccccc3)CC2C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
S1PR5 Q9H228 7/20 0.39
S1PR1 P21453 4/20 0.39
PDGFRA P16234 1/20 0.39
FAAH O00519 2/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 1/20 0.39
GRK5 P34947 1/20 0.38
CDK8 P49336 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL4470056 0.92 F10 (0.41) MC4RS1PR1FAAHBCHEACHE
SCHEMBL4470062 0.92 F10 (0.41) MC4RS1PR1FAAHBCHEACHE
SCHEMBL4465368 0.89 FAAH (0.43) MC4RS1PR5S1PR1PDGFRAFAAH
SCHEMBL4475292 0.79 RORC (0.42) MC4RRORCRBP4
SCHEMBL4475295 0.79 RORC (0.42) MC4RRORCRBP4
SCHEMBL4467521 0.79 MC4R (0.34) MC4RF10PRSS1
SCHEMBL5576800 0.75 RBP4 (0.39) KDM4ETDP1RBP4ALDH1A1
SCHEMBL5575775 0.74 LMNA (0.45) S1PR5S1PR1SIGMAR1RORCMEN1
SCHEMBL23924457 0.72 S1PR5 (0.49) S1PR5S1PR1DRD2DRD3SIGMAR1
SCHEMBL23924454 0.72 S1PR5 (0.49) S1PR5S1PR1DRD2DRD3SIGMAR1

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 MC4R 45/4885S1PR5 505/4885S1PR1 318/4885

“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.