SCHEMBL480790

SCHEMBL480790

N#Cc1cccc(C(OC2CCCCO2)c2ccc(CO)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
MRGPRX1 Q96LB2 2/20 0.38
PTGER4 P35408 1/20 0.38
MGLL Q99685 3/20 0.38
EPHX1 P07099 1/20 0.34
CTSC P53634 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CCR5 P51681 1/20 0.32

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
SCHEMBL3105126 1.00 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL3105113 1.00 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL481475 0.93 TACR1 (0.41) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL480987 0.90 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL481161 0.90 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL481163 0.90 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLEPHX1
SCHEMBL481123 0.89 EPHX1 (0.36) TACR1MRGPRX1EPHX1CTSCKMT2A
SCHEMBL481351 0.84 TACR1 (0.38) TACR1MRGPRX1PTGER4MGLLKMT2A
SCHEMBL481226 0.83 PTGER4 (0.34) PTGER4
SCHEMBL481350 0.82 AR (0.39) PTGER4

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 TACR1 62/4885MRGPRX1 82/4885PTGER4 572/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885PTGER4 418/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885PTGER4 418/4885

“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.