SCHEMBL208900

SCHEMBL208900

CC(C)(C)OC(=O)N[C@@H]1CN(CC2CC2)CC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.44
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
ALDH1A1 P00352 1/20 0.38
DRD3 P35462 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 2/20 0.38
F2 P00734 1/20 0.38
F5 P12259 1/20 0.38
CCR1 P32246 1/20 0.37
CNR1 P21554 1/20 0.37
TSHR P16473 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.37
USP14 P54578 1/20 0.36
USP30 Q70CQ3 1/20 0.36
DEGS1 O15121 1/20 0.36
IDO1 P14902 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
SCHEMBL208895 0.88 F10 (0.43) SMN1; SMN2F10F2F5CCR1
SCHEMBL209793 0.88 TSHR (0.38) DRD2ALDH1A1DRD3SMN1; SMN2F10
SCHEMBL209285 0.85 F10 (0.39) ALDH1A1SMN1; SMN2F10F2F5
SCHEMBL210778 0.85 IDO1 (0.42) F10F2F5CCR1TSHR
SCHEMBL207795 0.84 NPC1 (0.39) ALDH1A1F10F2F5CCR1
SCHEMBL206636 0.84 IDO1 (0.41) ALDH1A1SMN1; SMN2F10F2F5
SCHEMBL207922 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2F10CCR1TSHR
SCHEMBL209841 0.83 MAPK1 (0.40) ALDH1A1SMN1; SMN2F10F2F5
SCHEMBL5437564 0.83 L3MBTL1 (0.46) ALDH1A1SMN1; SMN2F10F2F5
SCHEMBL4268198 0.83 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2F10F2F5

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 1760/4885JAK2 118/4885JAK1 1209/4885

“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.