SCHEMBL209793

SCHEMBL209793

C=CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.37
F10 P00742 2/20 0.37
F2 P00734 1/20 0.37
F5 P12259 1/20 0.37
CCR1 P32246 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
USP14 P54578 1/20 0.36
IDO1 P14902 2/20 0.35
USP30 Q70CQ3 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CCNK O75909 1/20 0.35
CDK12 Q9NYV4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL208900 0.88 DRD2 (0.44) TSHRALDH1A1F10F2F5
SCHEMBL210778 0.85 IDO1 (0.42) TSHRF10F2F5CCR1
SCHEMBL208895 0.85 F10 (0.43) TSHRF10F2F5CCR1
SCHEMBL207795 0.84 NPC1 (0.39) TSHRALDH1A1F10F2F5
SCHEMBL209285 0.84 F10 (0.39) TSHRALDH1A1F10F2F5
SCHEMBL206636 0.83 IDO1 (0.41) ALDH1A1F10F2F5CCR1
SCHEMBL207922 0.82 ALDH1A1 (0.44) TSHRALDH1A1F10CCR1L3MBTL1
SCHEMBL209841 0.82 MAPK1 (0.40) TSHRALDH1A1F10F2F5
SCHEMBL5437564 0.82 L3MBTL1 (0.46) TSHRALDH1A1F10F2F5
SCHEMBL4268193 0.82 SMN1; SMN2 (0.45) TSHRALDH1A1F10F2F5

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 6 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-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
US-20090239857-A1 TRIAMINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-24 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-20090239857-A1 TRIAMINE DERIVATIVE F2, F12, F3 TSHR 280/4885ALDH1A1 1780/4885F10 15/4885

“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.