SCHEMBL3377244

SCHEMBL3377244

O=C(c1ccc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc1)N1CCCC1CN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.55
▸ MET P08581 9/20 0.50
▸ ALK Q9UM73 2/20 0.49
▸ KCNH2 Q12809 1/20 0.47
▸ IKBKB O14920 2/20 0.47

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
SCHEMBL2350830 1.00 HRH3 (0.55) HRH3METALKKCNH2IKBKB
Hydrochloric Acid SCHEMBL2344284 0.99 HRH3 (0.54) HRH3METALKKCNH2IKBKB
Hydrochloric Acid SCHEMBL2344287 0.99 HRH3 (0.54) HRH3METALKKCNH2IKBKB
SCHEMBL3275683 0.86 PTPRZ1 (0.52) HRH3METKCNH2
SCHEMBL3275680 0.86 PTPRZ1 (0.52) HRH3METKCNH2
SCHEMBL12392721 0.85 HRH3 (0.60) HRH3METALKKCNH2IKBKB
SCHEMBL2343456 0.85 CA2 (0.58) HRH3MET
SCHEMBL12392941 0.85 CA2 (0.58) HRH3MET
SCHEMBL12392956 0.85 HRH3 (0.60) HRH3METALKKCNH2IKBKB
SCHEMBL2346240 0.84 HRH3 (0.59) HRH3METALKKCNH2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES BEAVERS LISA SELSAM 2010-02-25 — — 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-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-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

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 1/4885MET 725/4885ALK 976/4885
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 HRH3 1/4885MET 725/4885ALK 976/4885

“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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