SCHEMBL4246769

SCHEMBL4246769

Cc1cc(Br)cc2c1NCC1CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
USP30 Q70CQ3 3/20 0.37
PDE4B Q07343 1/20 0.36
BTK Q06187 3/20 0.36
LIPE Q05469 2/20 0.36
RORC P51449 1/20 0.35
KDM4E B2RXH2 2/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
GPR119 Q8TDV5 3/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL4242684 0.87 PDE4B (0.44) NR1H2USP30PDE4BBTKLIPE
SCHEMBL4242681 0.87 PDE4B (0.44) NR1H2USP30PDE4BBTKLIPE
SCHEMBL4482316 0.84 CHRNA4 (0.33) MAPT
SCHEMBL4245207 0.82 USP30 (0.41) NR1H2USP30PDE4BBTKLIPE
SCHEMBL4246712 0.74 PDE4B (0.45) USP30PDE4BBTKLIPERORC
SCHEMBL31503237 0.74 MAPK1 (0.47) NR1H2USP30PDE4BBTKLIPE
SCHEMBL2355843 0.73 NR1H2 (0.49) NR1H2USP30PDE4BBTKLIPE
SCHEMBL19272699 0.73 NR1H2 (0.49) NR1H2USP30PDE4BBTKLIPE
SCHEMBL15012086 0.73 NR1H2 (0.49) NR1H2USP30PDE4BBTKLIPE
SCHEMBL4481794 0.72 ERN1 (0.40) KDM4E

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 NR1H2 91/4885USP30 3758/4885PDE4B 517/4885

“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.