SCHEMBL4470056

SCHEMBL4470056

COC(=O)C1CN(Cc2ccccc2)CC1c1cccc(C(F)(F)F)c1C(=O)OC(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.41
PRSS1 P07477 6/20 0.41
MC4R P32245 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
FAAH O00519 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
S1PR1 P21453 1/20 0.37
RBP4 P02753 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
SCHEMBL4470062 1.00 F10 (0.41) F10PRSS1MC4RDRD2DRD3
SCHEMBL4473457 0.92 MC4R (0.40) F10PRSS1MC4RDRD2DRD3
SCHEMBL4465368 0.85 FAAH (0.43) MC4RDRD2DRD3SIGMAR1FAAH
SCHEMBL5576800 0.84 RBP4 (0.39) RBP4
SCHEMBL4472649 0.79 PDE4B (0.48) RBP4
SCHEMBL4472653 0.79 PDE4B (0.48) RBP4
SCHEMBL4467521 0.78 MC4R (0.34) F10PRSS1MC4R
SCHEMBL4011897 0.76 RORC (0.44) F10PRSS1
SCHEMBL3436382 0.75 S1PR1 (0.46) F10PRSS1S1PR1
SCHEMBL13041175 0.75 S1PR1 (0.46) F10PRSS1S1PR1

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 F10 238/4885PRSS1 858/4885MC4R 45/4885

“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.