SCHEMBL481052

SCHEMBL481052

COC(=O)c1cccc(Cc2ccc(COc3ccc(C(C)=O)c(O)c3-c3cccnc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
NEK1 Q96PY6 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
SRC P12931 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LRRK2 Q5S007 4/20 0.41

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
SCHEMBL481129 0.91 PTGER1 (0.47) SMPD1CYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL481077 0.90 SMN1; SMN2 (0.43) NEK1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL10245928 0.90 CYSLTR1 (0.44) SMPD1CYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL1755744 0.88 SMPD1 (0.41) SMPD1CYP11B1CYP11B2SMN1; SMN2ALDH1A1
SCHEMBL481447 0.86 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL27686260 0.84 PTGER1 (0.47) SMPD1CYP11B1CYP11B2SMN1; SMN2MAPT
SCHEMBL481341 0.83 CYSLTR1 (0.59) GRM2CYSLTR1MRGPRX4
SCHEMBL481373 0.83 MAPT (0.41) SMN1; SMN2NPC1RAB9AMAPTCYP2C9
SCHEMBL481061 0.81 CYP2C9 (0.47) SMN1; SMN2NPC1RAB9AHTTMAPT
SCHEMBL481518 0.81 MAPT (0.43) ADORA2AADORA1SMN1; SMN2NPC1RAB9A

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-2441762-A1 Potentiators of Glutamate Receptors Eli Lilly and Company (US) 2012-04-18 EP disclosed
EP-1817301-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2012-02-01 EP disclosed
US-7816523-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
US-7803938-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090318481-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-20090318483-A1 Potentiators Of Glutamate Receptors AICHER THOMAS DANIEL 2009-12-24 US disclosed
US-7598423-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-10-06 US disclosed
US-20080139505-A1 Potentiators Of Glutamate Receptors ARRAY BIOPHARMA, INC. 2008-06-12 US disclosed
EP-1817301-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057870-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 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-20080139505-A1 Potentiators Of Glutamate Receptors GRM1, GRIN1, GRM2 SMPD1 2767/4885ADORA2A 100/4885ADORA1 90/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 SMPD1 2662/4885ADORA2A 733/4885ADORA1 425/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 SMPD1 2662/4885ADORA2A 733/4885ADORA1 425/4885

“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.