SCHEMBL3334010

SCHEMBL3334010

NCCC[C@H]1CN(c2ccc3c(c2)NC(=O)CS3)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.44

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
SCHEMBL2170693 1.00 GRM2 (0.44) GRM2
SCHEMBL591179 1.00 GRM2 (0.44) GRM2
SCHEMBL14692418 0.97 GRM2 (0.46) GRM2
SCHEMBL1712026 0.94 GRM2 (0.41) GRM2
SCHEMBL1712464 0.94 GRM2 (0.41) GRM2
SCHEMBL591467 0.94 GRM2 (0.41) GRM2
SCHEMBL1723603 0.90 GRM2 (0.43) GRM2
SCHEMBL1723628 0.90 GRM2 (0.43) GRM2
SCHEMBL1712090 0.90 GRM2 (0.43) GRM2
SCHEMBL2170757 0.89 F10 (0.46) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916573-B2 Quinazoline-2,4-dione derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-12-23 US disclosed
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-19 US disclosed
EP-2742042-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-06-18 EP disclosed
WO-2013021363-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-02-14 WO disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY GRM2 4516/4885
US-20140171425-A1 QUINAZOLINE-2,4-DIONE DERIVATIVES NQO2, H1-3, H1-0 GRM2 3184/4885

“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.