SCHEMBL3274746

SCHEMBL3274746

Cc1cccc(COc2ccc(C(=O)N3CCCC3CN3CCC[C@@H]3C)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 3/20 0.39
SPHK2 Q9NRA0 2/20 0.39
HCRTR2 O43614 2/20 0.39
HCRTR1 O43613 1/20 0.39
KCNH2 Q12809 3/20 0.39
HRH3 Q9Y5N1 3/20 0.39
CYP3A4 P08684 2/20 0.39
PDE4B Q07343 2/20 0.39
HTR3A P46098 1/20 0.38
PDE2A O00408 1/20 0.37
GRM5 P41594 2/20 0.36
SPHK1 Q9NYA1 1/20 0.36
PIK3CA P42336 2/20 0.36
MTOR P42345 2/20 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
SCHEMBL3274751 1.00 CPS1 (0.39) CPS1SPHK2HCRTR2HCRTR1KCNH2
SCHEMBL12102139 1.00 CPS1 (0.39) CPS1SPHK2HCRTR2HCRTR1KCNH2
SCHEMBL3279287 0.88 GRM5 (0.44) CPS1SPHK2HCRTR2HCRTR1KCNH2
SCHEMBL3279292 0.88 GRM5 (0.44) CPS1SPHK2HCRTR2HCRTR1KCNH2
SCHEMBL12102126 0.88 GRM5 (0.44) CPS1SPHK2HCRTR2HCRTR1KCNH2
SCHEMBL3275435 0.86 SPHK2 (0.46) SPHK2HCRTR1HRH3HTR3ASPHK1
SCHEMBL3275431 0.86 SPHK2 (0.46) SPHK2HCRTR1HRH3HTR3ASPHK1
SCHEMBL12102135 0.86 SPHK2 (0.46) SPHK2HCRTR1HRH3HTR3ASPHK1
SCHEMBL12993585 0.86 ALOX5 (0.39) CPS1HCRTR2HCRTR1KCNH2HRH3
SCHEMBL3587048 0.86 ALOX5 (0.39) CPS1HCRTR2HCRTR1KCNH2HRH3

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 8 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 claimed
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 claimed
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 claimed
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP claimed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 WO claimed
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-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

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 CPS1 1255/4885SPHK2 720/4885HCRTR2 4/4885

“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.