SCHEMBL4482309

SCHEMBL4482309

CN1C(=O)C2CN(C(=O)OC(C)(C)C)CC2c2cccc(C(F)(F)F)c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.47
LIPE Q05469 2/20 0.42
TACR1 P25103 3/20 0.41
USP30 Q70CQ3 2/20 0.40
KDM4E B2RXH2 1/20 0.39
AADAT Q8N5Z0 1/20 0.37
PDE4B Q07343 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
P2RX7 Q99572 2/20 0.36
NAMPT P43490 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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 0.85 USP30 (0.42) RORCLIPEUSP30KDM4EPDE4B
SCHEMBL4481078 0.83 PDE4B (0.46) RORCLIPEUSP30KDM4EAADAT
SCHEMBL4473052 0.80 ALDH1A1 (0.48) RORCLIPETACR1USP30KDM4E
SCHEMBL4473055 0.80 ALDH1A1 (0.48) RORCLIPETACR1USP30KDM4E
SCHEMBL4493838 0.80 ALDH1A1 (0.48) RORCLIPETACR1USP30KDM4E
SCHEMBL4482441 0.80 ALDH1A1 (0.48) RORCLIPETACR1USP30KDM4E
SCHEMBL1843425 0.79 RORC (0.43) RORCLIPETACR1USP30P2RX7
SCHEMBL1843421 0.79 RORC (0.43) RORCLIPETACR1USP30P2RX7
SCHEMBL4473620 0.77 HTR2C (0.55) RORCLIPETACR1USP30KDM4E
SCHEMBL4465706 0.77 HTR2C (0.55) RORCLIPETACR1USP30KDM4E

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 RORC 930/4885LIPE 286/4885TACR1 131/4885

“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.