SCHEMBL8404672

SCHEMBL8404672

NCc1ccc(C(=O)N2CCN(CCOCCO)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.58
PARP1 P09874 1/20 0.52
DRD2 P14416 6/20 0.51
DRD3 P35462 6/20 0.50
KCNA5 P22460 3/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL8404673 0.87 DRD3 (0.65) NAMPTPARP1DRD2DRD3KCNA5
SCHEMBL19634400 0.86 ALDH1A1 (0.62) NAMPTDRD2ALDH1A1POLBMEN1
SCHEMBL15947381 0.84 NAMPT (0.58) NAMPTPARP1DRD2DRD3KCNA5
SCHEMBL19634738 0.84 DRD3 (0.52) DRD2DRD3KCNA5MEN1KMT2A
SCHEMBL14853580 0.81 NAMPT (0.55) NAMPTPARP1DRD2DRD3KCNA5
SCHEMBL12976185 0.81 SMN1; SMN2 (0.56) DRD2DRD3ALDH1A1POLBMEN1
SCHEMBL20458263 0.80 NAMPT (0.54) NAMPTPARP1DRD2DRD3KCNA5
SCHEMBL19634739 0.78 DRD3 (0.55) DRD2DRD3KCNA5
SCHEMBL20203277 0.78 DRD2 (0.51) NAMPTDRD2DRD3KCNA5ALDH1A1
SCHEMBL8543987 0.78 NAMPT (0.52) NAMPTPARP1DRD2DRD3KCNA5

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-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-9328085-B2 Heterocyclic compounds and expansion agents for hematopoietic stem cells NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-03 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 US disclosed
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2012-05-24 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 (2 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-20130245255-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885PARP1 987/4885DRD2 3480/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 NAMPT 980/4885PARP1 987/4885DRD2 3480/4885

“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.