SCHEMBL2348768

SCHEMBL2348768

CN(C)S(=O)(=O)c1ccc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.57
▸ KCNH2 Q12809 2/20 0.52
▸ MET P08581 6/20 0.49
▸ ALK Q9UM73 1/20 0.47
▸ IKBKB O14920 2/20 0.47
▸ CSF1R P07333 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL12392936 1.00 HRH3 (0.57) HRH3KCNH2METALKIKBKB
SCHEMBL2345944 0.90 HRH3 (0.53) HRH3KCNH2METALKIKBKB
SCHEMBL12392947 0.90 HRH3 (0.53) HRH3KCNH2METALKIKBKB
SCHEMBL13608867 0.89 HRH3 (0.52) HRH3KCNH2METALKIKBKB
SCHEMBL12392721 0.88 HRH3 (0.60) HRH3KCNH2METALKIKBKB
SCHEMBL12392956 0.88 HRH3 (0.60) HRH3KCNH2METALKIKBKB
SCHEMBL2346240 0.87 HRH3 (0.59) HRH3KCNH2METALKIKBKB
SCHEMBL2346243 0.87 HRH3 (0.59) HRH3KCNH2METALKIKBKB
SCHEMBL12392941 0.85 CA2 (0.58) HRH3MET
SCHEMBL2343456 0.85 CA2 (0.58) HRH3MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 — — US claimed
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 — — US claimed
EP-1735278-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-06 — — EP claimed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 — — US claimed
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 — — US disclosed
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 — — US disclosed
US-8008301-B2 (2-(S)-Pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-(4'-trifluoromethyl-biphenyl-4-yl)-methanone; treatment of nervous system disorder, obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2011-08-30 — — US disclosed
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 — — US disclosed
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 — — US disclosed
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 — — US disclosed
EP-1735278-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-06 — — EP disclosed
EP-1735278-B1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-06 — — EP disclosed
US-7632857-B2 (3-Fluoro-4'-methanesulfonyl-biphenyl-4-yl)-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone; treatment of obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2009-12-15 — — US disclosed
US-7632857-B2 (3-Fluoro-4'-methanesulfonyl-biphenyl-4-yl)-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone; treatment of obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2009-12-15 — — US disclosed
US-7632857-B2 (3-Fluoro-4'-methanesulfonyl-biphenyl-4-yl)-[2-(S)-(2-(R)-methyl-pyrrolidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone; treatment of obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases ELI LILLY AND COMPANY (US) 2009-12-15 — — US disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 — — US disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 — — US disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 — — US disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 — — EP disclosed
WO-2005097740-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-10-20 — — 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 (2 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-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HRH3 1/4885KCNH2 1430/4885MET 725/4885
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HRH3 1/4885KCNH2 1430/4885MET 725/4885

“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.

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