SCHEMBL3275342

SCHEMBL3275342

COC(=O)c1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.68
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MAPT P10636 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MRGPRX4 Q96LA9 1/20 0.52
LMNA P02545 1/20 0.52
MAOB P27338 3/20 0.51
AR P10275 1/20 0.51
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN7 P35236 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
POLB P06746 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
FFAR1 O14842 1/20 0.48

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
SCHEMBL10236929 0.84 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL11350421 0.84 RAB9A (0.82) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL25254739 0.84 TRPV1 (0.53) PTPRZ1NPC1RAB9AMAPTMEN1
SCHEMBL30745904 0.84 PTPRZ1 (0.72) PTPRZ1MAOBPTPN2PTPN1PTPN7
SCHEMBL3275286 0.84 PTPRZ1 (0.72) PTPRZ1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL22721357 0.83 MRGPRX4 (0.71) NPC1RAB9ASMN1; SMN2MAPTMEN1
Lithium Ion SCHEMBL3275290 0.83 PTPRZ1 (0.70) PTPRZ1NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6709526 0.82 MAOB (0.74) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL509652 0.82 MAOB (0.74) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6418760 0.80 MAOB (0.72) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 10 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 disclosed
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
EP-1756051-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-02-28 EP disclosed
WO-2005121080-A1 HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-22 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 (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 PTPRZ1 4135/4885NPC1 806/4885RAB9A 3149/4885

“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.