SCHEMBL3440779

SCHEMBL3440779

CO[C@H]1CN[C@](C)(C(=O)Nc2ccc3c(c2)CCN(C)C3)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42
ROCK2 O75116 9/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.39
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
TMPRSS2 O15393 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
SLC6A4 P31645 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL3945012 0.84 CLK2 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL8127319 0.82 CLK2 (0.45) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL4752371 0.81 CLK2 (0.42) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL3440721 0.78 CLK2 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL13104213 0.76 ABCB1 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL13104154 0.76 MEN1 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL13104155 0.76 MEN1 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL3440741 0.76 CLK2 (0.43) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL12101328 0.74 ROCK2 (0.41) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL13104200 0.74 ROCK2 (0.37) CLK2CLK3DYRK1AROCK2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807693-B2 Substituted prolinamides, manufacturing, and the use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-05 US disclosed
US-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIN INTERNATIONAL GMBH (DE) 2008-06-12 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-20080139605-A1 SUBSTITUTED PROLINAMIDES, MANUFACTURING, AND THE USE THEREOF AS MEDICAMENTS PPID, PREP, P4HA1 CLK2 1225/4885CLK3 455/4885DYRK1A 1510/4885

“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.