SCHEMBL480987

SCHEMBL480987

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
MRGPRX1 Q96LB2 2/20 0.38
MGLL Q99685 1/20 0.36
PTGER4 P35408 1/20 0.34
EPHX1 P07099 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSC P53634 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CRHBP P24387 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR2 Q13324 1/20 0.32
DHFR P00374 1/20 0.32
GRM5 P41594 1/20 0.31

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
SCHEMBL481161 1.00 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL481163 1.00 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL480790 0.90 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL3105113 0.90 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL3105126 0.90 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL481475 0.84 TACR1 (0.41) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL481351 0.84 TACR1 (0.38) TACR1MRGPRX1MGLLPTGER4NPSR1
SCHEMBL481504 0.79 TACR1 (0.41) TACR1MRGPRX1MGLLPTGER4EPHX1
SCHEMBL481123 0.78 EPHX1 (0.36) TACR1MRGPRX1EPHX1TSHRCTSC
SCHEMBL481200 0.76 MAPT (0.44) SMN1; SMN2CYP2C9CYP2C19

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 82/4885MGLL 2253/4885
US-20090318481-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885MGLL 1853/4885
US-20090318483-A1 Potentiators Of Glutamate Receptors GRIK1, GRIK2, GRIK4 TACR1 48/4885MRGPRX1 43/4885MGLL 1853/4885

“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.