SCHEMBL3314928

SCHEMBL3314928

COc1cc(C(C)C(=O)N2CCN(CCO)CC2)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.41
HTR4 Q13639 5/20 0.41
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR1D P28221 1/20 0.39
ADRA1B P35368 1/20 0.39
HTR2B P41595 1/20 0.39
HTR3A P46098 1/20 0.39
HTT P42858 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
SCHEMBL3311700 0.81 MAPT (0.55) POLBALDH1A1HTT
SCHEMBL3319932 0.80 ALDH1A1 (0.45) POLBALDH1A1HTT
SCHEMBL15651295 0.79 KMT2A (0.58) POLBALDH1A1TP53HTR4CHRM4
SCHEMBL2234370 0.73 GAA (0.47) HTR4
SCHEMBL13172093 0.72 ALDH1A1 (0.47) ALDH1A1HTT
SCHEMBL3315336 0.72 AKR1C3 (0.56) ALDH1A1HTT
SCHEMBL12893439 0.71 HTR4 (0.53) ALDH1A1TP53HTR4CHRM4CHRM5
SCHEMBL3314391 0.70 MT-CO2 (0.50) ALDH1A1HTT
SCHEMBL13194468 0.70 HIF1A (0.45) ALDH1A1TP53HTT
SCHEMBL13575609 0.70 CYP2D6 (0.63) ALDH1A1TP53HTR4ADRA2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS POLB 233/4885ALDH1A1 649/4885TP53 563/4885

“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.