SCHEMBL2917828

SCHEMBL2917828

CCOC(=O)CN1CCC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 1/20 0.38
GSK3B P49841 2/20 0.38
GSK3A P49840 1/20 0.38
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ELANE P08246 1/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSD11B1 P28845 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
PRKCA P17252 1/20 0.35

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
SCHEMBL5204 0.93 MAPK1 (0.42) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL65358 0.84 ALDH1A1 (0.46) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL11116362 0.84 LMNA (0.46) LMNAALDH1A1MEN1KMT2AMAPK1
SCHEMBL2915700 0.83 MEN1 (0.39) ALDH1A1MEN1KMT2AGAASMN1; SMN2
SCHEMBL4080149 0.82 GAA (0.47) LMNAALDH1A1MEN1KMT2AGSK3B
SCHEMBL29419289 0.82 ALDH1A1 (0.45) LMNAALDH1A1MEN1KMT2AMAPK1
Bromide SCHEMBL18396974 0.82 ALDH1A1 (0.45) LMNAALDH1A1MEN1KMT2AGSK3B
SCHEMBL865518 0.82 GAA (0.47) LMNAALDH1A1MEN1KMT2AGSK3B
Hydrochloric Acid SCHEMBL28944198 0.82 LMNA (0.49) LMNAALDH1A1MEN1KMT2AGSK3B
SCHEMBL689078 0.82 LMNA (0.45) LMNAALDH1A1MEN1KMT2AMAPK1

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
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 LMNA 4163/4885ALDH1A1 139/4885MEN1 4127/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 LMNA 3156/4885ALDH1A1 251/4885MEN1 2886/4885

“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.