SCHEMBL3279340

SCHEMBL3279340

O=C(c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1)N1CCC[C@H]1CN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.60
SPHK2 Q9NRA0 2/20 0.55
MET P08581 6/20 0.53
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
ALK Q9UM73 2/20 0.47
MRGPRX4 Q96LA9 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
SCHEMBL3279338 1.00 HRH3 (0.60) HRH3SPHK2METCYP19A1CYP11B1
Trifluoroacetic Acid SCHEMBL5494273 0.97 HRH3 (0.56) HRH3SPHK2METCYP19A1CYP11B1
Trifluoroacetic Acid SCHEMBL12095860 0.97 HRH3 (0.56) HRH3SPHK2METCYP19A1CYP11B1
SCHEMBL3278795 0.90 HRH3 (0.64) HRH3SPHK2MET
SCHEMBL3278791 0.90 HRH3 (0.64) HRH3SPHK2MET
SCHEMBL3274721 0.88 HRH3 (0.62) HRH3SPHK2METSPHK1
SCHEMBL3274718 0.88 HRH3 (0.62) HRH3SPHK2METSPHK1
SCHEMBL3276195 0.88 HRH3 (0.64) HRH3SPHK2METSPHK1
SCHEMBL3276193 0.88 HRH3 (0.64) HRH3SPHK2METSPHK1
Trifluoroacetic Acid SCHEMBL5506854 0.88 HRH3 (0.57) HRH3SPHK2METSPHK1ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1956952-B Histamine H3 receptor agents, preparation and therapeutic uses LILLY CO ELI 2013-12-11 CN claimed
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-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

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 HRH3 1/4885SPHK2 720/4885MET 903/4885

“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.