SCHEMBL5130191

SCHEMBL5130191

Nc1cc(CN2CCOCC2)cc(N2CCOCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
MAPT P10636 1/20 0.44
TMEM97 Q5BJF2 5/20 0.44
SIGMAR1 Q99720 5/20 0.44
AGXT P21549 1/20 0.43
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
LGMN Q99538 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 2/20 0.40
DRD4 P21917 1/20 0.40
HRH1 P35367 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL5129937 0.94 HRH3 (0.46) NCF1HRH3MAPTTMEM97SIGMAR1
SCHEMBL5131625 0.90 LMNA (0.49) NCF1HRH3MAPTTMEM97SIGMAR1
SCHEMBL5129082 0.87 ALDH1A1 (0.43) NCF1HRH3MAPTTMEM97SIGMAR1
SCHEMBL978877 0.82 PIK3CA (0.46) MAPTAGXTMEN1ALDH1A1KMT2A
SCHEMBL14032718 0.81 MAPT (0.48) NCF1HRH3MAPTTMEM97SIGMAR1
SCHEMBL1172028 0.80 LGMN (0.53) MAPTAGXTMEN1ALDH1A1KMT2A
SCHEMBL2712064 0.80 LGMN (0.53) MAPTAGXTMEN1ALDH1A1KMT2A
SCHEMBL24197405 0.79 MAPT (0.49) NCF1HRH3MAPTALDH1A1SMN1; SMN2
SCHEMBL30417083 0.79 MAPT (0.49) NCF1HRH3MAPTALDH1A1SMN1; SMN2
SCHEMBL29796217 0.79 HRH3 (0.51) NCF1HRH3MAPTTMEM97SIGMAR1

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 3 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

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 NCF1 1719/4885HRH3 502/4885MAPT 3593/4885

“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.