SCHEMBL3275286

SCHEMBL3275286

O=C(O)c1ccc(OCc2ccc(SC(F)(F)F)cc2)cc1.[LiH]

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.72
NR4A2 P43354 6/20 0.62
NR4A1 P22736 1/20 0.59
NR4A3 Q92570 1/20 0.59
RXRA P19793 5/20 0.58
RXRB P28702 5/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
SRD5A2 P31213 1/20 0.55
PLA2G4B P0C869 2/20 0.52
PTPN2 P17706 2/20 0.51
PTPN1 P18031 2/20 0.51
PTPRC P08575 1/20 0.51
PTPN7 P35236 1/20 0.51
MAOB P27338 2/20 0.50

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
SCHEMBL30745904 0.86 PTPRZ1 (0.72) PTPRZ1NR4A2PTPN2PTPN1PTPRC
SCHEMBL27927082 0.85 ALDH1A1 (0.62) PTPRZ1NR4A2RXRARXRBPTPN1
Lithium Ion SCHEMBL3275290 0.85 PTPRZ1 (0.70) PTPRZ1NR4A2NR4A1NR4A3RXRA
SCHEMBL3275342 0.84 PTPRZ1 (0.68) PTPRZ1RXRARXRBNPC1POLB
SCHEMBL8134318 0.82 NR4A2 (0.85) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL1015553 0.80 KCNK2 (0.57) PTPRZ1SRD5A2
SCHEMBL6525591 0.80 MAOB (0.76) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL22721344 0.80 MRGPRX4 (0.70) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL19951231 0.80 MAOB (0.76) NR4A2NR4A1NR4A3RXRARXRB
SCHEMBL30885390 0.77 PTPRZ1 (0.67) PTPRZ1NPC1RAB9ASMN1; SMN2PTPN2

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 5 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
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
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 4135/4885NR4A2 736/4885NR4A1 582/4885

“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.