SCHEMBL3276178

SCHEMBL3276178

COC(=O)c1ccc(OCc2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.60
MAOB P27338 5/20 0.53
MAOA P21397 2/20 0.51
EPAS1 Q99814 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP14 P50281 1/20 0.43
ADAM17 P78536 1/20 0.43
AR P10275 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41

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
SCHEMBL3274602 0.87 MAOB (0.56) MAOBMAOAFFAR4MMP1MMP2
SCHEMBL14893940 0.83 MAOB (0.63) MAOBMAOAFFAR4ALDH1A1MAPT
SCHEMBL3274502 0.82 PTPRZ1 (0.72) PTPRZ1MAOBMMP1MMP2MMP9
SCHEMBL176858 0.80 MAOB (0.59) MAOBMAOAMRGPRX4ALDH1A1HPGD
SCHEMBL6000294 0.77 PTPRZ1 (1.00) PTPRZ1MAOBMMP1MMP2MMP9
SCHEMBL3901811 0.75 HSD11B1 (0.45) EPAS1KDM4EALDH1A1HPGD
SCHEMBL27571102 0.74 MAOB (0.64) MAOBMAOAFFAR4MRGPRX4PARP10
SCHEMBL7900785 0.73 MAOB (0.75) MAOBMAOAFFAR4MAPT
SCHEMBL3904126 0.73 FFAR4 (0.49) MAOBFFAR4MRGPRX4KDM4EALDH1A1
SCHEMBL2334050 0.72 MAOB (0.48) MAOBMAOAMAPT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756051-B1 Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI (US) 2012-09-12 EP disclosed
EP-1756051-B1 Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI (US) 2012-09-12 EP disclosed
US-7696234-B2 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-7696234-B2 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-7696234-B2 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY 2009-05-07 US disclosed
US-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY 2009-05-07 US disclosed
US-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY 2009-05-07 US disclosed
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP disclosed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 WO 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-20090118254-A1 (4-Benzyloxy-phenyl)-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)- methanone; obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases HRH3, HRH4, HCRTR1 PTPRZ1 4135/4885MAOB 1488/4885MAOA 1969/4885

“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.