SCHEMBL18508447

SCHEMBL18508447

CNC12CCCC(CC(C)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL10138565 0.79 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21165989 0.79 GRIN2D (0.71) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24853842 0.79
SCHEMBL18720743 0.78 EPHX1 (0.39) ALDH1A1
SCHEMBL17425868 0.77 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24209213 0.76
SCHEMBL18720725 0.74 KMT2A (0.39) ALDH1A1
SCHEMBL23900514 0.74 EPHX2 (0.37) ALDH1A1
SCHEMBL18720724 0.74 EPHX2 (0.40) ALDH1A1
SCHEMBL14608704 0.73 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
EP-3939968-A1 NOVEL COMPOUND HAVING ANTICANCER ACTIVITY, AND METHOD FOR PRODUCING SAME Medicinal Bioconvergence Research Center (KR) 2022-01-19 EP disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 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-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 GRIN2D 3208/4885GRIN3B 2989/4885GRIN1 656/4885
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 GRIN2D 3766/4885GRIN3B 2366/4885GRIN1 2351/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 GRIN2D 3376/4885GRIN3B 3190/4885GRIN1 724/4885

“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.