SCHEMBL13656404

SCHEMBL13656404

CC(=O)N(C)CCc1ccc2c(c1)CC(=O)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
PKM P14618 4/20 0.41
SMYD3 Q9H7B4 2/20 0.40
GAA P10253 2/20 0.39
CDC25A P30304 1/20 0.39
CDC25B P30305 1/20 0.39
CDC25C P30307 1/20 0.39
DUSP3 P51452 1/20 0.39
TRIM24 O15164 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BMPR1B O00238 2/20 0.36
BMPR1A P36894 2/20 0.36
ACVRL1 P37023 2/20 0.36
ACVR1 Q04771 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
HCN4 Q9Y3Q4 1/20 0.36
CTSC P53634 1/20 0.36

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
SCHEMBL8177698 0.79 HTR1A (0.48)
SCHEMBL19068833 0.78 POLB (0.49) POLBPKMGAACDC25ACDC25B
SCHEMBL4884442 0.76 POLB (0.51) POLBPKMSMYD3GAACDC25A
SCHEMBL20424943 0.75 ALDH1A1 (0.46) POLBPKMSMYD3GAATRIM24
SCHEMBL12297707 0.74 POLB (0.48) POLBPKMSMYD3GAACDC25A
SCHEMBL26932019 0.73 POLB (0.47) POLBPKMSMYD3GAACDC25A
SCHEMBL26932031 0.72 PDE5A (0.50) POLBPKMSMYD3GAATRIM24
SCHEMBL20424924 0.72 HTR7 (0.46) POLBPKMSMYD3GAACDC25A
Hydrochloric Acid SCHEMBL30630728 0.72 POLB (0.46) POLBPKMSMYD3GAACDC25A
SCHEMBL17229317 0.71 ACVRL1 (0.46) POLBPKMGAACDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS SUZUKI YASUYUKI (JP) 2012-12-06 US disclosed
US-20090264521-A1 Percutaneous absorption preparation SUZUKI YASUYUKI 2009-10-22 US disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 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 (3 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-20090264521-A1 Percutaneous absorption preparation MTNR1A, MTNR1B, NPSR1 POLB 3094/4885PKM 1998/4885SMYD3 4827/4885
US-20120309823-A1 PERCUTANEOUS ABSORPTION PREPARATIONS MTNR1A, MTNR1B, MC1R POLB 3080/4885PKM 2022/4885SMYD3 4837/4885
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX POLB 1506/4885PKM 2369/4885SMYD3 2002/4885

“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.