SCHEMBL3227554

SCHEMBL3227554

CCCc1c(SCc2cccc(Cc3cccc(C(=O)O)c3)c2)ccc(CC)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPC1 O15118 1/20 0.40
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
LMNA P02545 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
FOLH1 Q04609 1/20 0.36
ACMSD Q8TDX5 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL481180 0.88 AR (0.47) ARMRGPRX4SMN1; SMN2HTTRAB9A
SCHEMBL481143 0.82 CYSLTR1 (0.45) ARMRGPRX4SMN1; SMN2HTTRAB9A
SCHEMBL481274 0.81 GRM2 (0.45) ARMRGPRX4SMN1; SMN2LMNA
SCHEMBL481157 0.77 NPC1 (0.43) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL10247605 0.75 MRGPRX4 (0.49) ARMRGPRX4SMN1; SMN2HTTRAB9A
SCHEMBL480938 0.74 AR (0.50) ARMRGPRX4SMN1; SMN2HTTRAB9A
SCHEMBL481053 0.70 GRM2 (0.50) SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL481150 0.69 AR (0.46) ARMRGPRX4SMN1; SMN2HTTRAB9A
SCHEMBL991080 0.69 FOLH1 (0.61) MRGPRX4SMN1; SMN2HTTRAB9ARXFP1
SCHEMBL30354557 0.69 FOLH1 (0.61) MRGPRX4SMN1; SMN2HTTRAB9ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 AR 2217/4885MRGPRX4 99/4885SMN1; SMN2 3201/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 AR 2217/4885MRGPRX4 99/4885SMN1; SMN2 3201/4885

“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.