SCHEMBL209968

SCHEMBL209968

CC(C)(C)OC(=O)N[C@@H]1CN(CC2CC2)CC[C@@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
CTSL P07711 2/20 0.44
CPB1 P15086 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
PDE4B Q07343 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 2/20 0.43
KCNA3 P22001 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SYK P43405 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL207913 0.88 CTSL (0.47) DRD2CTSLCPB1CTSBCTSK
SCHEMBL210039 0.84 PDE4B (0.49) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL4263739 0.84 PDE4B (0.49) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL206802 0.84 KMT2A (0.47) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL4268253 0.84 PDE4B (0.49) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL208375 0.84 CTSL (0.46) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL207775 0.83 PDE4B (0.53) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL30313012 0.82 DRD2 (0.57) DRD2CTSLCTSBCTSKKMT2A
SCHEMBL209666 0.82 RORC (0.43) CTSLCPB1CTSBCTSKPDE4B
SCHEMBL3563686 0.81 KMT2A (0.56) CTSLCPB1CTSBCTSKPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 US disclosed
EP-1864982-A1 TRIAMINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 DRD2 1760/4885CTSL 2606/4885CPB1 1403/4885

“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.