SCHEMBL13041627

SCHEMBL13041627

CC(C)N1C(=O)N(C2CC2)C(C)(C)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CDYL Q9Y232 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ CBX7 O95931 1/20 0.35
▸ CDYL2 Q8N8U2 1/20 0.35
▸ CDY1; CDY1B Q9Y6F8 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 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
SCHEMBL7887118 0.77 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4961767 0.69 SLC6A4 (0.54) ALDH1A1SMN1; SMN2CDYLADAMTS5CBX7
SCHEMBL9091776 0.69 RARA (0.51) ALDH1A1SMN1; SMN2CDYLADAMTS5CBX7
SCHEMBL2877376 0.69 PDK2 (0.44) ALDH1A1KDM4EOPRM1OPRK1OPRL1
SCHEMBL13041624 0.69 C5AR1 (0.47) ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL12769743 0.68 KMT2A (0.43) ALDH1A1SMN1; SMN2CDYLKDM4EADAMTS5
SCHEMBL13041626 0.68 OPRM1 (0.39) ALDH1A1SMN1; SMN2CYP2D6CYP2C9OPRM1
SCHEMBL19699828 0.67 SLC6A4 (0.49) ALDH1A1SMN1; SMN2CDYLADAMTS5CBX7
SCHEMBL13041646 0.65 MAPK1 (0.47) ALDH1A1
SCHEMBL14169854 0.65 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2CDYLKDM4EADAMTS5

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-20100278835-A1 NOVEL COMPOUNDS 660 ASTRAZENECA UK LIMITED (GB) 2010-11-04 — — 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-20100278835-A1 NOVEL COMPOUNDS 660 RB1, RPP30, SARS1 ALDH1A1 2596/4885SMN1; SMN2 48/4885CDYL 4512/4885

“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.

Send feedback