SCHEMBL20245083

SCHEMBL20245083

NC12CC3CC(C1)C(C3)C2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 7/20 0.71
GRIN2A Q12879 7/20 0.71
GRIN2D O15399 6/20 0.71
GRIN3B O60391 6/20 0.71
GRIN2B Q13224 6/20 0.71
GRIN2C Q14957 6/20 0.71
GRIN3A Q8TCU5 6/20 0.71
LMNA P02545 4/20 0.71
SLC22A1 O15245 2/20 0.71
NFKB1 P19838 2/20 0.71
SLC22A2 O15244 2/20 0.71
SLC47A1 Q96FL8 2/20 0.71
TSHR P16473 1/20 0.71
STAT6 P42226 1/20 0.71
SIGMAR1 Q99720 1/20 0.71
THRB P10828 2/20 0.67
PMP22 Q01453 2/20 0.67
POLB P06746 1/20 0.67
BLM P54132 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67

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
SCHEMBL13558671 0.86 GRIN1 (0.60) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL10890351 0.86 GRIN1 (0.60) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL6854902 0.85 LMNA (0.52) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1558149 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12367863 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12758972 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12832468 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1497420 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL1497404 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL12832299 0.84 GRIN1 (0.57) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021203048-A1 NOVEL 2-PYRIMIDONE ANALOGS AS POTENT ANTIVIRAL AGENTS AGAINST ALPHAVIRUSES SOUTHERN RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
WO-2020263790-A1 OLEFIN POLYMERIZATION CATALYSTS BEARING A THIAZOLE OR IMIDAZOLE DOW GLOBAL TECHNOLOGIES LLC (US) 2020-12-30 WO disclosed
EP-3564240-A1 PIPERIDINE INTERMEDIATES Purdue Pharma L.P. (US) 2019-11-06 EP disclosed
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
US-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2018-06-21 US disclosed
EP-3333917-A1 ORGANIC THIN FILM TRANSISTOR, METHOD FOR MANUFACTURING ORGANIC THIN FILM TRANSISTOR, MATERIAL FOR ORGANIC THIN FILM TRANSISTORS, COMPOSITION FOR ORGANIC THIN FILM TRANSISTORS, ORGANIC SEMICONDUCTOR FILM, AND COMPOUND FUJIFILM Corporation (JP) 2018-06-13 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-20180170861-A1 SMALL MOLECULE INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES AND USED THEREOF PTPA, EPM2A, PTPRA GRIN1 2912/4885GRIN2A 759/4885GRIN2D 3197/4885
US-20180170862-A1 PROTEIN TYROSINE PHOSPHATASES OR SHP2 INHIBITORS AND USES THEREOF PTPA, PTPRA, PTPRCAP GRIN1 2652/4885GRIN2A 761/4885GRIN2D 3201/4885

“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.