SCHEMBL2340910

SCHEMBL2340910

O=C(O)c1ccc(-c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
MAP4K4 O95819 1/20 0.52
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
BCL2L1 Q07817 1/20 0.48
BAD Q92934 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 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
SCHEMBL17348353 0.87 MEN1 (0.49) RXRARXRBRXRGMAP4K4
SCHEMBL29418677 0.85 L3MBTL1 (0.57)
SCHEMBL186213 0.85 L3MBTL1 (0.57)
SCHEMBL23499863 0.85 KIF11 (0.50) MAP4K4
Hydrochloric Acid SCHEMBL21767713 0.84 L3MBTL1 (0.56)
SCHEMBL17348347 0.81
SCHEMBL2340659 0.81 CA12 (0.53) MAP4K4CA12CA1CA2CA9
SCHEMBL31109031 0.80 NAMPT (0.46) CA12CA1CA2CA9CA14
SCHEMBL16404616 0.80 TRPV4 (0.52) MAP4K4
SCHEMBL15006204 0.79 MRGPRX4 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1960969-B Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI 2012-03-28 CN 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
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-7504412-B2 Imidazopyridine derivatives BANYU PHARMACEUTICALS, CO., LTD. (JP) 2009-03-17 US disclosed
CN-100418965-C Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2008-09-17 CN disclosed
US-20080200494-A1 Imidazopyridine Derivatives MSD K.K. (JP) 2008-08-21 US disclosed
US-20070208024-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY 2007-09-06 US disclosed
CN-1960969-A Histamine H3 receptor agents, methods of preparation and therapeutic uses thereof LILLY CO ELI (US) 2007-05-09 CN disclosed
EP-1735278-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
CN-1835950-A Imidazopyridine derivatives BANYU PHARMA CO LTD (JP) 2006-09-20 CN disclosed
EP-1657242-A1 IMIDAZOPYRIDINE DERIVATIVES Banyu Pharmaceutical Co., Ltd. (JP) 2006-05-17 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 (3 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 RXRA 1948/4885RXRB 1840/4885RXRG 1561/4885
US-20100048580-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES HRH3, HRH4, HCRTR1 RXRA 1948/4885RXRB 1840/4885RXRG 1561/4885
US-20080200494-A1 Imidazopyridine Derivatives MC1R, MC3R, MC5R RXRA 972/4885RXRB 1157/4885RXRG 984/4885

“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.