SCHEMBL2423047

SCHEMBL2423047

COc1ccc(N2CCC(N(C)C)CC2)c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.44
▸ ALDH1A1 P00352 9/20 0.42
▸ TRIM24 O15164 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41
▸ HRH1 P35367 2/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A3 P47895 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 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
SCHEMBL2425107 0.92 PIM1 (0.43) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2425113 0.92 PIM1 (0.43) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL28034017 0.83 ALDH1A1 (0.56) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2424543 0.82 ALDH1A1 (0.54) ALDH1A1MAPTALDH1A3KDM4E
SCHEMBL17871911 0.81 ALDH1A1 (0.55) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL1740761 0.80 ERN1 (0.49) ERN1ALDH1A1TRIM24TYRTRIM33
SCHEMBL2427787 0.78 PIM1 (0.61) —
SCHEMBL2427786 0.78 PIM1 (0.61) —
SCHEMBL2423035 0.77 PIM1 (0.50) HRH1KCNH2CYP2D6KMT2AGAA
SCHEMBL22470950 0.75 MAPT (0.48) ALDH1A1MAPTGAAL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — 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 (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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ERN1 367/4885ALDH1A1 498/4885TRIM24 1345/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ERN1 425/4885ALDH1A1 683/4885TRIM24 1335/4885

“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.

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