SCHEMBL14717954

SCHEMBL14717954

C=CCC(CO)N(C(=O)O)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33

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
SCHEMBL17699163 1.00 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL14717953 1.00 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL2027977 0.85 GRIK1 (0.33) GRIK1GRIK2
SCHEMBL16195856 0.82
SCHEMBL1642847 0.77
SCHEMBL14909153 0.77
SCHEMBL18342420 0.76
SCHEMBL18341019 0.76 PTGS1 (0.32)
SCHEMBL18342421 0.76
SCHEMBL15413518 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845329-B2 Method for producing a substituted 6,7,8,9-tetrahydropyrimido[5,4-b]indolizine, substituted 7,8,9,10-tetrahydro-6H-pyrimido[5′,4′:4,5]pyrrolo[1,2-a]azepine and substituted 6,7,8,9,10,11-hexahydropyrimido[5′,4′:4,5]pyrrolo[1,2-a]azocine TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-12-19 US disclosed
US-20160115172-A1 METHOD FOR PRODUCNG TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD TAIHO PHARMACEUTICAL CO., LTD. (JP) 2016-04-28 US disclosed
US-8940722-B2 Compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORγ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2015-01-27 US disclosed
US-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease PHENEX PHARMACEUTICALS AG (DE) 2013-02-28 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 (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-20130053380-A1 Novel compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune disease RORB, RORC, RORA GRIK1 257/4885GRIK2 370/4885
US-20160115172-A1 METHOD FOR PRODUCNG TRICYCLIC COMPOUND, AND TRICYCLIC COMPOUND CAPABLE OF BEING PRODUCED BY SAID PRODUCTION METHOD DHPS, PAH, COASY GRIK1 3041/4885GRIK2 2582/4885

“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.