SCHEMBL106859

SCHEMBL106859

COC(=O)c1cnccc1CCCN1CCN(CCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL30465486 0.73 KDM4E (0.57) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL4074620 0.73 KDM4E (0.57) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL169608 0.71 KDM4E (0.38) KDM4EALDH1A1TP53CYP3A4POLB
SCHEMBL17078728 0.70 ALDH1A1 (0.54) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL4317587 0.70 KDM4E (0.54) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL6136868 0.70 CYP4F2 (0.45) ALDH1A1TP53NAMPT
SCHEMBL2651911 0.70 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAAPOLB
SCHEMBL1647471 0.69 ALDH1A1 (0.51) KDM4EALDH1A1GAALMNA
SCHEMBL21359902 0.69 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAANAMPT
SCHEMBL106858 0.69 PDE4B (0.40) KDM4EALDH1A1GAADRD2POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KDM4E 3663/4885ALDH1A1 4311/4885GLA 469/4885

“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.