SCHEMBL14508418

SCHEMBL14508418

COC(=O)CN(CC(C)=O)c1c(C)cc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HPGD P15428 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ NLRP3 Q96P20 1/20 0.36
▸ CRHR1 P34998 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL5314449 0.85 NLRP3 (0.44) ALDH1A1RAB9AHPGDGAAMGAM
SCHEMBL29465883 0.73 ALDH1A1 (0.41) ALDH1A1RAB9ALMNAMAPTNPC1
SCHEMBL13603849 0.72 KMT2A (0.39) ALDH1A1RAB9AGAANLRP3LMNA
SCHEMBL9481206 0.70 HPGD (0.40) ALDH1A1RAB9AHPGDNLRP3LMNA
SCHEMBL9832188 0.68 NLRP3 (0.43) ALDH1A1HPGDGAAMGAMSI
SCHEMBL11502422 0.67 GAA (0.43) ALDH1A1GAAMGAMSIMGAM2
SCHEMBL769278 0.67 GAA (0.48) ALDH1A1RAB9AHPGDGAANLRP3
SCHEMBL8420037 0.67 RAB9A (0.42) ALDH1A1RAB9AGAANPSR1MEN1
SCHEMBL20836328 0.66 ALDH1A1 (0.42) ALDH1A1RAB9ALMNAMAPTHSD17B10
SCHEMBL12321275 0.66 ALDH1A1 (0.42) ALDH1A1RAB9AHPGDGAALMNA

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-20070112015-A1 Substituted dihydropyridines and methods of use CHEMOCENTRYX, INC. (US) 2007-05-17 — — 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-20070112015-A1 Substituted dihydropyridines and methods of use C3AR1, C5AR1, C5AR2 ALDH1A1 1488/4885RAB9A 2757/4885HPGD 675/4885

“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.

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