SCHEMBL5129082

SCHEMBL5129082

Nc1cc(CN2CCC(O)CC2)cc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
PIK3CA P42336 4/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
MAPT P10636 1/20 0.38
AGXT P21549 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
AKT1 P31749 2/20 0.37
NCF1 P14598 1/20 0.37
MTOR P42345 1/20 0.37
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 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
SCHEMBL5130191 0.87 NCF1 (0.46) ALDH1A1PIK3CATMEM97SIGMAR1MAPT
SCHEMBL5129937 0.85 HRH3 (0.46) ALDH1A1PIK3CATMEM97SIGMAR1MAPT
SCHEMBL14032759 0.84 KDM4E (0.46) ALDH1A1KDM4EGAATMEM97SIGMAR1
SCHEMBL4442165 0.83 LGMN (0.42) ALDH1A1KDM4EGAAPIK3CAMAPT
SCHEMBL5131625 0.81 LMNA (0.49) ALDH1A1KDM4EGAAPIK3CATMEM97
SCHEMBL14087745 0.80 AGXT (0.53) ALDH1A1KDM4EPIK3CATMEM97SIGMAR1
SCHEMBL5129427 0.79 ALDH1A1 (0.48) ALDH1A1KDM4ESIGMAR1MAPTMEN1
SCHEMBL978877 0.77 PIK3CA (0.46) ALDH1A1KDM4EGAAPIK3CAMAPT
SCHEMBL5132596 0.76 SYK (0.40) KDM4EGAAPIK3CAMAPTAKT1
SCHEMBL5128728 0.76 SYK (0.40) KDM4EGAAPIK3CAMAPTAKT1

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
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
US-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-10-02 US disclosed
WO-2008104754-A1 NOVEL PYRIMIDINE DERIVATIVES 698 ASTRAZENECA AB (SE) 2008-09-04 WO 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-20080242663-A1 NOVEL PYRIMIDINE DERIVATIVES 698 EPHB4, EPHB1, NME2 ALDH1A1 1143/4885KDM4E 1632/4885GAA 4060/4885

“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.