SCHEMBL210847

SCHEMBL210847

CC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Br)cn2)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.38
POLB P06746 2/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
FPR2 P25090 6/20 0.37
FPR3 P25089 3/20 0.37
TSHR P16473 4/20 0.36
FPR1 P21462 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HCRTR1 O43613 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
USP30 Q70CQ3 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
SCHEMBL210778 0.89 IDO1 (0.42) NPC1RAB9AFPR2TSHRFPR1
SCHEMBL4266525 0.89 POLB (0.37) BCL2POLBCDK5CDK5R1ALDH1A1
SCHEMBL4266519 0.89 POLB (0.37) BCL2POLBCDK5CDK5R1ALDH1A1
SCHEMBL208311 0.86 BCL2 (0.40) BCL2POLBCDK5CDK5R1ALDH1A1
SCHEMBL208667 0.86 FPR2 (0.45) ALDH1A1FPR2FPR3
SCHEMBL208457 0.81 FPR1 (0.37) FPR2FPR1
SCHEMBL207841 0.81 IDO1 (0.40) ALDH1A1NPC1RAB9AFPR2TSHR
SCHEMBL206636 0.81 IDO1 (0.41) ALDH1A1SMN1; SMN2USP30
SCHEMBL209753 0.80 IDO1 (0.40) TSHRUSP30
SCHEMBL208363 0.80 F10 (0.42) ALDH1A1TSHRUSP30

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 3871/4885CDK5 2087/4885

“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.