SCHEMBL481358

SCHEMBL481358

CC(C)[Si](OCc1ccc(C(OC2CCCCO2)c2ccc(C#N)cc2)cc1)(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
ACACB O00763 1/20 0.34
DRD4 P21917 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CMKLR1 Q99788 1/20 0.31
PLK1 P53350 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
CYP26A1 O43174 1/20 0.30
CYP3A4 P08684 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
ITK Q08881 1/20 0.30
MAOB P27338 2/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL481351 0.91 TACR1 (0.38) TACR1MRGPRX1PLK1NR1H4TSHR
SCHEMBL481504 0.84 TACR1 (0.41) TACR1MRGPRX1PLK1TSHRSLC6A2
SCHEMBL481123 0.82 EPHX1 (0.36) TACR1MRGPRX1ACACBTSHR
SCHEMBL6325306 0.76 CYP2A6 (0.47) NR1H4TSHRMAOB
SCHEMBL480962 0.75 KCNK3 (0.31)
SCHEMBL481091 0.74 AR (0.33) KDM4E
SCHEMBL5857069 0.73 TACR1 (0.45) TACR1MRGPRX1DRD4TMEM97SIGMAR1
SCHEMBL3105126 0.72 TACR1 (0.38) TACR1MRGPRX1TSHR
SCHEMBL481161 0.72 TACR1 (0.38) TACR1MRGPRX1TSHRCYP3A4SLC6A2
SCHEMBL481163 0.72 TACR1 (0.38) TACR1MRGPRX1TSHRCYP3A4SLC6A2

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 12 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-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-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-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-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

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 TACR1 62/4885MRGPRX1 82/4885ACACB 3398/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885ACACB 3749/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885ACACB 3749/4885

“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.