SCHEMBL22504111

SCHEMBL22504111

C=CC(CC(N)=O)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 4/20 0.41
GFER P55789 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGS2 P35354 1/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 3/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL12836133 0.78 ALDH1A1 (0.47) CNR2ALDH1A1SMN1; SMN2KDM4EGFER
SCHEMBL5358916 0.78 CNR2 (0.45) CNR2ALDH1A1SMN1; SMN2KDM4EGFER
SCHEMBL12836132 0.77 MAPT (0.48) CNR2ALDH1A1SMN1; SMN2KDM4EGFER
SCHEMBL10694482 0.72 ALDH1A1 (0.48) CNR2ALDH1A1SMN1; SMN2KDM4EGFER
SCHEMBL2440672 0.69 NPC1 (0.54) CNR2ALDH1A1SMN1; SMN2KDM4EGFER
Acrylamide SCHEMBL28867195 0.68 NPC1 (0.53) ALDH1A1SMN1; SMN2KDM4EGFERGAA
SCHEMBL29639814 0.67 ITGB3 (0.54) CNR2ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL4873981 0.67 NPC1 (0.61) ALDH1A1SMN1; SMN2KDM4EGFERGAA
SCHEMBL4767629 0.67 NPC1 (0.61) ALDH1A1SMN1; SMN2KDM4EGFERGAA
SCHEMBL1397421 0.67 NPC1 (0.61) ALDH1A1SMN1; SMN2KDM4EGFERGAA

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-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders AURIMMED PHARMA, INC. (US) 2020-10-06 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-10793515-B2 Compounds advantageous in the treatment of central nervous system diseases and disorders SMN1; SMN2, HDAC6, CTSA CNR2 56/4885ALDH1A1 1386/4885SMN1; SMN2 1/4885

“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.