SCHEMBL14304472

SCHEMBL14304472

Cc1cc(=O)oc2cc(N3CCN(C(=O)OC(C)(C)C)CC3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ MAPT P10636 7/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ GAA P10253 3/20 0.55
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ HPGD P15428 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA4 P22748 1/20 0.50
▸ CA5A P35218 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA5B Q9Y2D0 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.46

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
SCHEMBL3201431 0.89 CA12 (0.52) ALDH1A1MAPTKDM4EGAACA12
SCHEMBL2394813 0.86 MAPT (0.53) ALDH1A1MAPTCA12CA1SMN1; SMN2
SCHEMBL15066104 0.83 ALDH1A1 (0.52) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL21113046 0.82 MAPT (0.49) ALDH1A1MAPTCA12CA1SMN1; SMN2
SCHEMBL29433670 0.79 MAPT (0.46) ALDH1A1MAPTCA12CA1SMN1; SMN2
SCHEMBL28716306 0.79 MAPT (0.46) ALDH1A1MAPTCA12CA1SMN1; SMN2
SCHEMBL25447362 0.78 MAPT (0.60) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL29433673 0.77 MAPT (0.43) ALDH1A1MAPTKDM4EGAACA12
SCHEMBL28718593 0.77 MAPT (0.43) ALDH1A1MAPTKDM4EGAACA12
SCHEMBL24589799 0.77 MAOB (0.55) ALDH1A1MAPTKDM4EGAACA12

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
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-07-25 — — US disclosed
WO-2008013997-A2 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-01-31 — — 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-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 ALDH1A1 904/4885MAPT 1343/4885KDM4E 2789/4885

“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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