SCHEMBL20469098

SCHEMBL20469098

Cc1ccc(N2CC3CC(C2)N3C2COC2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MAP3K12 Q12852 2/20 0.39
PDE10A Q9Y233 2/20 0.38
GPR119 Q8TDV5 1/20 0.36
DHFR P00374 1/20 0.36
OGA O60502 1/20 0.34
GAA P10253 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL24018502 0.91 MAP3K12 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21450070 0.87 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20469222 0.83 MAP3K12 (0.41) MAP3K12
SCHEMBL20469096 0.83 MAP3K12 (0.39) MAP3K12
SCHEMBL21012663 0.82 PDE10A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20468999 0.82 PDE10A (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21012729 0.81 MAP3K12 (0.36) MAP3K12GPR119DHFRAOC3
SCHEMBL21588382 0.80 PDE10A (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20469046 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23253118 0.80 GRIN2D (0.40) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909949-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS Gilead Sciences, Inc. (US) 2021-11-17 EP disclosed
EP-3577110-B1 8-OXETAN-3-YL-3,8-DIAZABICYCLO[3.2.1]OCTAN-3-YL SUBSTITUTED COMPOUNDS AS HIV INHIBITORS GILEAD SCIENCES INC (US) 2021-04-21 EP disclosed
US-10752636-B2 HIV inhibitor compounds GILEAD SCIENCES, INC. (US) 2020-08-25 US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 US disclosed
WO-2018145021-A1 ATAZANAVIR (ATV) ANALOGUES FOR TREATING HIV INFECTIONS GILEAD SCIENCES, INC. (US) 2018-08-09 WO 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-10752636-B2 HIV inhibitor compounds NFATC1, SAMHD1, CCR5 GRIN2D 4589/4885GRIN3B 3213/4885GRIN1 1862/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 GRIN2D 4147/4885GRIN3B 1553/4885GRIN1 534/4885

“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.