SCHEMBL24317231

SCHEMBL24317231

CC(C)C1(C)NCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
BCHE P06276 1/20 0.38
CHRM5 P08912 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
PRCP P42785 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL19223430 0.81 PRCP (0.39) MEN1PRCPHTR2A
SCHEMBL8819738 0.81 PRCP (0.39) MEN1PRCPHTR2A
SCHEMBL3542185 0.75 ALDH1A1 (0.43) ALDH1A1MAPTCYP3A4MEN1CYP2D6
SCHEMBL15084239 0.72 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4MEN1CYP2D6
SCHEMBL28027267 0.72 ALDH1A1 (0.41) ALDH1A1MAPTCYP3A4MEN1CYP2D6
SCHEMBL27945208 0.72 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4MEN1CYP2D6
SCHEMBL24224352 0.72 ALDH1A1 (0.38) ALDH1A1MAPTCYP3A4MEN1CYP2D6
SCHEMBL5179163 0.71 CHRM2 (0.38) CHRM5MAPK1
SCHEMBL4707320 0.69 OPRL1 (0.36) KMT2A
SCHEMBL20399183 0.69 ALDH1A1 (0.39) ALDH1A1MAPTCYP3A4MEN1CYP2D6

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-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS BEETLEJUICE SA LLC, AS PURCHASER AGENT 2022-03-10 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-20220072006-A1 PRO-DRUGS OF RILUZOLE AND THEIR METHOD OF USE FOR THE TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CYP1A2, CYP3A5, UGT1A1 ALDH1A1 45/4885MAPT 401/4885CYP3A4 16/4885

“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.