SCHEMBL4478844

SCHEMBL4478844

CC(C)(C)OC(=O)N1C[C@@H]2c3cccc(C(F)(F)F)c3C(=O)N(c3ccccc3)[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
HTR2C P28335 8/20 0.42
HTR2B P41595 8/20 0.42
HTR2A P28223 6/20 0.42
TACR1 P25103 2/20 0.40
GPR119 Q8TDV5 1/20 0.40
LIPE Q05469 2/20 0.39
USP30 Q70CQ3 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
P2RX7 Q99572 2/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 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
SCHEMBL4478842 1.00 RORC (0.47) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4472193 0.87 HTR2C (0.45) HTR2CHTR2BHTR2A
SCHEMBL4473620 0.86 HTR2C (0.55) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4472559 0.86 HTR2C (0.55) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4465708 0.86 HTR2C (0.55) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4465706 0.86 HTR2C (0.55) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4465382 0.84 RORC (0.42) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4478192 0.83 HTR2C (0.43) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4478197 0.83 HTR2C (0.43) RORCHTR2CHTR2BHTR2ATACR1
SCHEMBL4467969 0.82 HTR2C (0.44) RORCHTR2CHTR2BHTR2ATACR1

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 RORC 2282/4885HTR2C 17/4885HTR2B 1/4885

“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.