SCHEMBL4481078

SCHEMBL4481078

COc1cccc2c1N(C)C(=O)C1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.46
USP30 Q70CQ3 1/20 0.41
LIPE Q05469 2/20 0.40
RORC P51449 1/20 0.40
KDM4E B2RXH2 1/20 0.40
APLNR P35414 1/20 0.39
AADAT Q8N5Z0 1/20 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
CACNG1 Q06432 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
SCHEMBL4249376 0.86 USP30 (0.42) PDE4BUSP30LIPERORCKDM4E
SCHEMBL4485142 0.85 AADAT (0.39) KDM4EAADAT
SCHEMBL4482309 0.83 RORC (0.47) PDE4BUSP30LIPERORCKDM4E
SCHEMBL4243598 0.80 PDE4B (0.46) PDE4BUSP30LIPERORCKDM4E
SCHEMBL3141712 0.76 USP30 (0.45) PDE4BUSP30LIPERORCKDM4E
SCHEMBL4246712 0.75 PDE4B (0.45) PDE4BUSP30LIPERORCKDM4E
SCHEMBL25044121 0.74 MEN1 (0.51) PDE4BRORCKDM4ECACNB4CACNA1A
SCHEMBL527932 0.74 PDE4B (0.49) PDE4BRORCCACNB4CACNA1ACACNA1G
SCHEMBL3135515 0.74 USP30 (0.43) PDE4BUSP30LIPERORCKDM4E
SCHEMBL3136411 0.74 USP30 (0.43) PDE4BUSP30LIPERORCKDM4E

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-7618980-B2 Pyrrolo(oxo)quinolines as 5HT ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-17 US 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 517/4885USP30 3758/4885LIPE 286/4885

“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.