SCHEMBL17576703

SCHEMBL17576703

c1ccc(N(c2ccc(C34CC5CC(C3)CC(c3ccc(N(c6ccccc6)c6cccc7ccccc67)cc3)(C5)C4)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.43
▸ GRIN3B O60391 1/20 0.43
▸ GRIN1 Q05586 1/20 0.43
▸ GRIN2A Q12879 1/20 0.43
▸ GRIN2B Q13224 1/20 0.43
▸ GRIN2C Q14957 1/20 0.43
▸ GRIN3A Q8TCU5 1/20 0.43
▸ PGR P06401 8/20 0.42
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL23691250 0.91 LMNA (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22815308 0.89 LMNA (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24421749 0.89 LMNA (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24421883 0.88 LMNA (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19288124 0.87 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24421884 0.87 LMNA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19089801 0.84 LMNA (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17576714 0.84 PGR (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19089975 0.83 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23691273 0.82 ALDH1A1 (0.35) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985802-B1 ADAMANTANE COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL & SUMIKIN CHEM CO (JP) 2017-08-30 — — EP disclosed
US-9722189-B2 Adamantane compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-08-01 — — US disclosed
US-9722189-B2 Adamantane compound for organic electroluminescent elements, and organic electroluminescent element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-08-01 — — US disclosed
WO-2017116168-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2017-07-06 — — WO disclosed
US-20160072064-A1 ADAMANTANE COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2016-03-10 — — US disclosed
US-20160072064-A1 ADAMANTANE COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2016-03-10 — — 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 (1 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-20160072064-A1 ADAMANTANE COMPOUND FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC18A2, SLC18A3, SLC1A2 GRIN2D 751/4885GRIN3B 438/4885GRIN1 387/4885

“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.

Send feedback