SCHEMBL3440741

SCHEMBL3440741

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
DYRK1A Q13627 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ROCK2 O75116 6/20 0.39
CYP3A4 P08684 1/20 0.39
CTSC P53634 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 2/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
TMPRSS2 O15393 1/20 0.38
USP2 O75604 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL12101328 0.97 ROCK2 (0.41) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL2278960 0.97 NPC1 (0.41) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL3943257 0.84 CLK2 (0.42) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL12101309 0.82 CTSC (0.38) NPC1RAB9AROCK2CTSCKDM4E
SCHEMBL8132355 0.81 PSMB8 (0.46) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL4681769 0.80 CLK2 (0.38) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL3441087 0.78 HCRTR1 (0.41) CLK2CLK3DYRK1ANPC1RAB9A
SCHEMBL3440779 0.76 CLK2 (0.42) CLK2CLK3DYRK1AROCK2CYP3A4
SCHEMBL8225469 0.75 CTSC (0.36) CTSC
SCHEMBL13104199 0.75 F10 (0.47) NPC1RAB9AROCK2POLBKMT2A

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.