SCHEMBL3201431

SCHEMBL3201431

CC(C)(C)OC(=O)N1CCN(c2ccc3c(O)cc(=O)oc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA4 P22748 2/20 0.52
▸ CA5A P35218 2/20 0.52
▸ CA7 P43166 2/20 0.52
▸ CA5B Q9Y2D0 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ BACE1 P56817 1/20 0.47
▸ PDK2 Q15119 1/20 0.46
▸ KDM1A O60341 3/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ NAMPT P43490 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL14304472 0.89 ALDH1A1 (0.55) CA12CA1CA2CA4CA5A
SCHEMBL2394813 0.86 MAPT (0.53) CA12CA1CA2CA4CA5A
SCHEMBL15066104 0.83 ALDH1A1 (0.52) ALDH1A1MAPTLMNAPDK2GPR119
SCHEMBL21113046 0.82 MAPT (0.49) CA12CA1CA2CA4CA5A
SCHEMBL28637400 0.78 ALDH1A1 (0.57) CA12CA1ALDH1A1MAPTLMNA
SCHEMBL29433670 0.77 MAPT (0.46) CA12CA1CA2CA4CA5A
SCHEMBL28716306 0.77 MAPT (0.46) CA12CA1CA2CA4CA5A
SCHEMBL24793535 0.76 LMNA (0.50) ALDH1A1MAPTLMNAPDK2GPR119
SCHEMBL30082686 0.76 LMNA (0.50) ALDH1A1MAPTLMNAPDK2GPR119
SCHEMBL24794177 0.76 ALDH1A1 (0.50) ALDH1A1MAPTLMNAPDK2GPR119

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-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
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
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
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-8337941-B2 Fluorescent substrates for monoamine transporters as optical false neurotransmitters THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-12-25 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — US disclosed
US-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-11 — — 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 (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-20100035279-A1 Fluorescent Substrates for Monoamine Transporters as Optical False Neurotransmitters SLC18A2, SLC6A2, SLC18A3 CA12 3331/4885CA1 3354/4885CA2 2332/4885
US-20130190497-A1 FLUORESCENT SUBSTRATES FOR MONOAMINE TRANSPORTERS AS OPTICAL FALSE NEUROTRANSMITTERS SLC18A2, SLC6A2, SLC18A3 CA12 3331/4885CA1 3354/4885CA2 2332/4885

“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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