SCHEMBL4465368

SCHEMBL4465368

COC(=O)c1c(C2CN(Cc3ccccc3)CC2C(=O)O)cccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
S1PR5 Q9H228 4/20 0.41
S1PR1 P21453 3/20 0.41
PDGFRA P16234 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
GRK5 P34947 1/20 0.40
CDK8 P49336 1/20 0.40
AR P10275 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RBP4 P02753 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL4473457 0.89 MC4R (0.40) FAAHBCHEACHES1PR5S1PR1
SCHEMBL4470056 0.85 F10 (0.41) FAAHBCHEACHES1PR1SIGMAR1
SCHEMBL4470062 0.85 F10 (0.41) FAAHBCHEACHES1PR1SIGMAR1
SCHEMBL4461637 0.78 TACR1 (0.45) RBP4KDM4EALDH1A1HPGDTDP1
SCHEMBL4461632 0.78 TACR1 (0.45) RBP4KDM4EALDH1A1HPGDTDP1
SCHEMBL5575775 0.76 LMNA (0.45) S1PR5S1PR1SIGMAR1MEN1KMT2A
SCHEMBL8782084 0.76 MEN1 (0.54) S1PR5S1PR1SIGMAR1MEN1KMT2A
SCHEMBL8782076 0.76 MEN1 (0.54) S1PR5S1PR1SIGMAR1MEN1KMT2A
SCHEMBL8314188 0.76 MEN1 (0.54) S1PR5S1PR1SIGMAR1MEN1KMT2A
SCHEMBL8314184 0.76 MEN1 (0.54) S1PR5S1PR1SIGMAR1MEN1KMT2A

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 FAAH 363/4885BCHE 1982/4885ACHE 2246/4885

“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.