SCHEMBL8404689

SCHEMBL8404689

CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2ccc(CN)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
MAPK14 Q16539 2/20 0.52
HDAC2 Q92769 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
POLB P06746 1/20 0.47

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
SCHEMBL8404688 0.90 ACKR3 (0.57) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL15947385 0.88 SMN1; SMN2 (0.59) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL5752686 0.86 HTR1A (0.60) ACKR3KMT2AMEN1MAPK14HDAC2
SCHEMBL4324960 0.85 CD274 (0.58) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL20458266 0.85 SMN1; SMN2 (0.56) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL31037305 0.83 DRD2 (0.58) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL19634686 0.82 HDAC2 (0.55) SMN1; SMN2KMT2AMEN1HTTNPSR1
SCHEMBL8576524 0.82 ACKR3 (0.57) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL8578446 0.80 ACKR3 (0.57) ACKR3SMN1; SMN2KMT2AMEN1CYP2C19
SCHEMBL21198803 0.80 VEGFA (0.55) SMN1; SMN2KMT2AMEN1HTTNPSR1

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 ACKR3 207/4885SMN1; SMN2 555/4885KMT2A 1024/4885
US-20120128640-A1 HETEROCYCLIC COMPOUNDS AND EXPANSION AGENTS FOR HEMATOPOIETIC STEM CELLS HCLS1, RUNX1, RCC1 ACKR3 207/4885SMN1; SMN2 555/4885KMT2A 1024/4885

“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.