SCHEMBL13617151

SCHEMBL13617151

CCCCCN/C(N)=N/C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
EPHX1 P07099 6/20 0.41
NAAA Q02083 1/20 0.39
PRCP P42785 1/20 0.38
SPHK1 Q9NYA1 3/20 0.37
CASP2 P42575 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
POLB P06746 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36

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
SCHEMBL12344130 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9408962 1.00 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3994211 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11228426 0.98 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13488626 0.94 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12344484 0.94 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28169169 0.94 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1505135 0.88 SIGMAR1 (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13488632 0.86
SCHEMBL14219759 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
WO-2021026358-A1 COMPOSITIONS AND METHODS FOR ENHANCED DELIVERY OF AGENTS Moderna TX, Inc. (US) 2021-02-11 WO disclosed
WO-2021022173-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF RNA INTERFERENCE AGENTS TO IMMUNE CELLS MODERNATX, INC. (US) 2021-02-04 WO disclosed
US-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 JANSSEN PHARMACEUTICA NV (BE) 2017-02-02 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (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-20170029381-A1 TETRAHYDRO-BENZOIMIDAZOLYL MODULATORS OF TGR5 GLRA1, GRM5, TRHR GRIN2D 494/4885GRIN3B 225/4885GRIN1 85/4885
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF HMOX1, CD209, HMOX2 GRIN2D 4080/4885GRIN3B 3057/4885GRIN1 2534/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 GRIN2D 3371/4885GRIN3B 3913/4885GRIN1 3151/4885

“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.