SCHEMBL8466136

SCHEMBL8466136

C1=Cc2ccncc2CO1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
AAK1 Q2M2I8 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
SCHEMBL30454517 0.84 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4
SCHEMBL8469341 0.84 SIGMAR1 (0.38) SIGMAR1CHRNB2CHRNA4
SCHEMBL736446 0.79
SCHEMBL22123483 0.78 ROCK2 (0.36) AAK1
SCHEMBL10919639 0.77
SCHEMBL846505 0.70 PARP1 (0.39)
SCHEMBL6789771 0.70 PARP1 (0.39)
SCHEMBL15902739 0.70 PARP1 (0.39)
Hydrochloric Acid SCHEMBL9670228 0.68 PARP1 (0.42)
SCHEMBL4624876 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059671-B2 Positive allosteric modulators of mGluR3 PREXTON THERAPEUTICS SA (CH) 2018-08-28 US disclosed
US-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2015-12-17 US disclosed
EP-2951157-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 Merck Patent GmbH (DE) 2015-12-09 EP disclosed
WO-2014117919-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 MERCK PATENT GMBH (DE) 2014-08-07 WO disclosed
CN-102850375-A Polysubstituted pyridine[4,5-d]oxazine compounds and preparation method UNIV JIANGXI NORMAL 2013-01-02 CN disclosed
CN-102850375-A Polysubstituted pyridine[4,5-d]oxazine compounds and preparation method UNIV JIANGXI NORMAL 2013-01-02 CN disclosed
EP-0915879-A1 NOVEL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-05-19 EP disclosed
WO-1998001449-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1998-01-15 WO disclosed
EP-0327239-B1 1-carbacephalosporin antibiotics LILLY CO ELI (US) 1994-06-22 EP disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
EP-0327239-A1 1-carbacephalosporin antibiotics ELI LILLY AND COMPANY (US) 1989-08-09 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP 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-20150361046-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR3 GRM3, GRM1, GRM4 SIGMAR1 302/4885CHRNB2 170/4885CHRNA4 44/4885
US-10059671-B2 Positive allosteric modulators of mGluR3 GRM3, GRM1, GRM4 SIGMAR1 302/4885CHRNB2 170/4885CHRNA4 44/4885

“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.