SCHEMBL4473055

SCHEMBL4473055

CC(C)(C)OC(=O)N1C[C@H]2C(=O)Nc3c(cccc3C(F)(F)F)[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
RORC P51449 1/20 0.44
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
LIPE Q05469 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP30 Q70CQ3 2/20 0.40
TACR1 P25103 2/20 0.39
BACE1 P56817 2/20 0.38
PDE4B Q07343 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

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
SCHEMBL4493838 1.00 ALDH1A1 (0.48) ALDH1A1RORCDDB1CRBNLIPE
SCHEMBL4482441 1.00 ALDH1A1 (0.48) ALDH1A1RORCDDB1CRBNLIPE
SCHEMBL4473052 1.00 ALDH1A1 (0.48) ALDH1A1RORCDDB1CRBNLIPE
SCHEMBL4248190 0.85 DDB1 (0.44) RORCDDB1CRBNLIPEKDM4E
SCHEMBL4478593 0.84 ALDH1A1 (0.51) ALDH1A1
SCHEMBL4243598 0.83 PDE4B (0.46) RORCDDB1CRBNLIPEKDM4E
SCHEMBL4482309 0.80 RORC (0.47) RORCDDB1CRBNLIPEKDM4E
SCHEMBL1842914 0.79 USP30 (0.41) RORCLIPEUSP30TACR1P2RX7
SCHEMBL1842912 0.79 USP30 (0.41) RORCLIPEUSP30TACR1P2RX7
SCHEMBL5133430 0.79 USP30 (0.41) RORCLIPEUSP30TACR1P2RX7

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 ALDH1A1 3212/4885RORC 930/4885DDB1 3514/4885

“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.