SCHEMBL4243598

SCHEMBL4243598

COc1cccc2c1NC(=O)C1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.46
DDB1 Q16531 2/20 0.43
CRBN Q96SW2 2/20 0.43
KDM4E B2RXH2 1/20 0.42
USP30 Q70CQ3 1/20 0.41
LIPE Q05469 2/20 0.40
RORC P51449 1/20 0.40
BACE1 P56817 2/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38
CACNA1H O95180 1/20 0.38
CACNB3 P54284 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNG7 P62955 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNB1 Q02641 1/20 0.38

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
SCHEMBL4248190 0.86 DDB1 (0.44) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL4466314 0.85 POLB (0.40) KDM4ECACNA1B
SCHEMBL4482441 0.83 ALDH1A1 (0.48) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL4473055 0.83 ALDH1A1 (0.48) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL4493838 0.83 ALDH1A1 (0.48) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL4473052 0.83 ALDH1A1 (0.48) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL4246712 0.81 PDE4B (0.45) PDE4BKDM4EUSP30LIPERORC
SCHEMBL4481078 0.80 PDE4B (0.46) PDE4BDDB1CRBNKDM4EUSP30
SCHEMBL25044121 0.74 MEN1 (0.51) PDE4BKDM4ERORCCACNB4CACNA1A
SCHEMBL527932 0.74 PDE4B (0.49) PDE4BRORCCACNB4CACNA1ACACNA1G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US disclosed
EP-1773833-A4 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP disclosed
EP-1773833-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2006019940-A2 PYRROLO(OXO)QUINOLINES AS 5HT LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 WO disclosed
US-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, 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-20060014778-A1 (+-)-cis 6-Methoxy-8-phenyl-2,3,3a,4,5,9b-hexahydro-1H-pyrrolo[3,4-c]quinoline; serotonin receptor modulators; obesity, diabetes, atherosclerosis, dyslipidemia; central nervous system diseases like anxiety, depression, OCD, panic disorder, psychosis, schizophrenia, sleep and sexual disorders, HTR3B, HTR2C, HTR2B PDE4B 517/4885DDB1 3514/4885CRBN 3202/4885

“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.