SCHEMBL23917657

SCHEMBL23917657

CC(C)Cc1cccc(CC(C)Cc2ccccn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2D6 P10635 3/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
FDPS P14324 1/20 0.41
PTPRA P18433 1/20 0.41

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
SCHEMBL22911519 0.89 PGR (0.46) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL25597388 0.85 CYP1A2 (0.39) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL2352782 0.83 GRIN2D (0.55) CYP1A2CYP2C19ALDH1A1CYP2D6MAPT
SCHEMBL104860 0.79 GRIN2D (0.55) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL20889860 0.79 HSD17B10 (0.36) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL2736162 0.78 ALDH1A1 (0.53) PGRADORA3PTGS1SLC6A2ALDH1A1
SCHEMBL19248854 0.78 CYP1A2 (0.49) PGRADORA3PTGS1SLC6A2CYP1A2
Ammonia Solution, Strong SCHEMBL5620498 0.77 GRIN2D (0.53) PGRADORA3PTGS1SLC6A2CYP1A2
Hydrochloric Acid SCHEMBL28948556 0.77 GRIN2D (0.53) PGRADORA3PTGS1SLC6A2CYP1A2
SCHEMBL22000551 0.77 CYP1A2 (0.40) PGRADORA3PTGS1SLC6A2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 PGR 2995/4885ADORA3 3715/4885PTGS1 1147/4885

“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.