SCHEMBL3725858

SCHEMBL3725858

CN(CCO)CCc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
GFER P55789 1/20 0.48
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
AOC3 Q16853 3/20 0.40
SRC P12931 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9627913 0.90 SIGMAR1 (0.66) SIGMAR1GFERMAOBMAOAKCNH2
SCHEMBL10000659 0.89 SIGMAR1 (0.54) SIGMAR1GFERTHRATHRBMAOB
SCHEMBL15005592 0.82 CA2 (0.56) SIGMAR1THRATHRBKCNH2HRH3
SCHEMBL3146657 0.82 MAPT (0.47) SIGMAR1GFERCYP3A4ALDH1A1TP53
SCHEMBL13897016 0.82 SIGMAR1 (0.58) SIGMAR1GFERMAOBMAOAKCNH2
SCHEMBL1241940 0.81 TAAR1 (0.62) SIGMAR1THRATHRBMAOBKCNH2
SCHEMBL10721950 0.81 SIGMAR1 (0.57) SIGMAR1GFERMAOBMAOAKCNH2
SCHEMBL6807356 0.80 SIGMAR1 (0.63) SIGMAR1AOC3
SCHEMBL27274534 0.80 SIGMAR1 (0.56) SIGMAR1GFERMAOBMAOAHRH3
SCHEMBL8789557 0.78 AOC3 (0.66) SIGMAR1MAOBKCNH2CYP3A4AOC3

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-2435436-B1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBVIE INC (US) 2014-07-30 EP disclosed
US-8354422-B2 Pyrimidine inhibitors of kinase activity ABBOTT LABORATORIES INC. (US) 2013-01-15 US disclosed
WO-2010138576-A1 PYRIMIDINE INHIBITORS OF KINASE ACTIVITY ABBOTT LABORATORIES (US) 2010-12-02 WO disclosed
US-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity ABBOTT LABORATORIES (US) 2010-12-02 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-20100305126-A1 Pyrimidine Inhibitors of Kinase Activity IGF1R, CDK2, TK1 SIGMAR1 2025/4885GFER 4179/4885THRA 754/4885

“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.