SCHEMBL21450012

SCHEMBL21450012

Cc1ccc(N2CC3C2CN3C2COC2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
MAP3K12 Q12852 2/20 0.32
GPR119 Q8TDV5 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRNA7 P36544 1/20 0.31
KCNH2 Q12809 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
SCHEMBL20469174 1.00 HCRTR1 (0.35) HCRTR1HCRTR2GRIN2DGRIN3BGRIN1
SCHEMBL23253277 0.83 MAP3K12 (0.32) MAP3K12
SCHEMBL20468900 0.83 MAP3K12 (0.32) MAP3K12
SCHEMBL23253291 0.83 MAP3K12 (0.32) MAP3K12
SCHEMBL21450190 0.83 MAP3K12 (0.32) MAP3K12
SCHEMBL21450186 0.81 MAP3K12 (0.31) MAP3K12
SCHEMBL21450013 0.80 GRM5 (0.31) MAP3K12
SCHEMBL21012853 0.80 GRM5 (0.31) MAP3K12
SCHEMBL21012792 0.80 GRM5 (0.31) MAP3K12
SCHEMBL20469173 0.80 GRM5 (0.31) MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027055-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 US disclosed
US-20190308983-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-10-10 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 (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-20230027055-A1 HIV INHIBITOR COMPOUNDS NFATC1, SAMHD1, CCR5 HCRTR1 3231/4885HCRTR2 4193/4885GRIN2D 4589/4885
US-20190308983-A1 HIV INHIBITOR COMPOUNDS HASPIN, NFATC1, NHERF1 HCRTR1 2768/4885HCRTR2 3798/4885GRIN2D 4147/4885

“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.