SCHEMBL4484948

SCHEMBL4484948

CCOC(=O)c1ccccc1C1CN(Cc2ccccc2)CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
S1PR5 Q9H228 3/20 0.43
USP30 Q70CQ3 1/20 0.43
RORC P51449 1/20 0.42
S1PR1 P21453 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
ADORA1 P30542 1/20 0.42
KMT2A Q03164 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TRPC5 Q9UL62 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PRMT1 Q99873 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5575775 0.86 LMNA (0.45) LMNAMAPK1S1PR5USP30RORC
SCHEMBL30728773 0.83 PRMT1 (0.50) TSHRLMNAMAPK1S1PR5RORC
SCHEMBL30728803 0.83 PRMT1 (0.50) TSHRLMNAMAPK1S1PR5RORC
SCHEMBL27042490 0.83 PRMT1 (0.50) TSHRLMNAMAPK1S1PR5RORC
SCHEMBL852497 0.82 S1PR5 (0.44) S1PR5USP30RORCS1PR1SIGMAR1
SCHEMBL31533993 0.82 TSHR (0.45) TSHRLMNAMAPK1S1PR5USP30
SCHEMBL1897605 0.82 S1PR5 (0.49) S1PR5RORCS1PR1ALDH1A1
SCHEMBL13041176 0.82 S1PR5 (0.49) S1PR5RORCS1PR1ALDH1A1
SCHEMBL1896746 0.79 USP30 (0.51) S1PR5USP30RORCS1PR1SIGMAR1
SCHEMBL4480859 0.79 MAPT (0.41) TSHRLMNAMAPK1S1PR5USP30

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 TSHR 368/4885LMNA 3051/4885MAPK1 2588/4885

“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.