SCHEMBL4069466

SCHEMBL4069466

O=CN(C(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.41
MAOB P27338 3/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 1/20 0.39
POLQ O75417 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
RBP4 P02753 1/20 0.37
RAB9A P51151 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
P4HB P07237 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
EPHX2 P34913 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
SCHEMBL4071548 0.79 LMNA (0.45) NFKB1MAOBGAALMNAPOLQ
SCHEMBL2088432 0.75 POLQ (0.50) NFKB1GAALMNAPOLQALDH1A1
SCHEMBL195968 0.74 POLQ (0.45) NFKB1GAALMNAPOLQALDH1A1
SCHEMBL2091373 0.73 NR3C1 (0.39) GAAALDH1A1ESR1POLBKMT2A
SCHEMBL2093135 0.73 ESR1 (0.38) NFKB1GAALMNAPOLQALDH1A1
SCHEMBL16372432 0.71 LMNA (0.42) NFKB1GAALMNASLC6A2SLC6A4
SCHEMBL1652095 0.69 GAA (0.52) NFKB1MAOBGAALMNAPOLQ
SCHEMBL20560739 0.69 LMNA (0.42) NFKB1MAOBGAALMNAPOLQ
SCHEMBL5331837 0.69 LMNA (0.42) NFKB1MAOBGAALMNAPOLQ
SCHEMBL2096212 0.69 POLQ (0.44) NFKB1MAOBGAALMNAPOLQ

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 NFKB1 2164/4885MAOB 59/4885GAA 1257/4885

“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.