SCHEMBL208311

SCHEMBL208311

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.40
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
HCRTR1 O43613 2/20 0.36
TSHR P16473 4/20 0.36
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
GRIN2B Q13224 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HCRTR2 O43614 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL209539 0.89 NTRK1 (0.36) CKS1BSKP1SKP2GRIN2B
SCHEMBL207795 0.89 NPC1 (0.39) ALDH1A1RAB9ANPC1TSHRLMNA
SCHEMBL210847 0.86 BCL2 (0.38) BCL2POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL209317 0.86 FPR2 (0.42) BCL2
SCHEMBL4266519 0.83 POLB (0.37) BCL2POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL4266525 0.83 POLB (0.37) BCL2POLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL208862 0.82 NPC1 (0.37) ALDH1A1RAB9ANPC1TSHRLMNA
SCHEMBL208835 0.82 NTRK1 (0.35) CKS1BSKP1SKP2GRIN2B
SCHEMBL210138 0.79 CCR1 (0.39) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL207173 0.79 NAMPT (0.38) ALDH1A1RAB9ALMNA

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 7 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
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 BCL2 2267/4885POLB 3871/4885ALDH1A1 1780/4885

“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.