SCHEMBL17151081

SCHEMBL17151081

Cc1cc(C2CCCN2C(=O)OC(C)(C)C)ccn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ RIPK1 Q13546 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TSHR P16473 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ GRM5 P41594 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PROKR1 Q8TCW9 1/20 0.41

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
SCHEMBL22473361 0.96 PRMT5 (0.43) LMNANPSR1MAPTALDH1A1WNT3A
SCHEMBL29953798 0.87 UCHL1 (0.52) LMNANPSR1MAPTALDH1A1RIPK1
SCHEMBL14240400 0.87 ALDH1A1 (0.43) LMNANPSR1MAPTALDH1A1RIPK1
SCHEMBL22726599 0.87 UCHL1 (0.52) LMNANPSR1MAPTALDH1A1RIPK1
SCHEMBL30745375 0.86 ALDH1A1 (0.45) LMNANPSR1MAPTALDH1A1RIPK1
SCHEMBL18394381 0.83 PROKR1 (0.45) MAPTRIPK1GRM5PROKR1
SCHEMBL20281685 0.81 PROKR1 (0.56) ALDH1A1WNT3APROKR1
SCHEMBL18406191 0.81 LMNA (0.51) LMNANPSR1MAPTALDH1A1L3MBTL1
SCHEMBL878861 0.80 NPSR1 (0.56) LMNANPSR1MAPTALDH1A1RIPK1
SCHEMBL22473277 0.80 UCHL1 (0.45) LMNANPSR1ALDH1A1WNT3AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 — — US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 — — US disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 — — 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 (3 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC LMNA 4743/4885NPSR1 4420/4885MAPT 2906/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO LMNA 4676/4885NPSR1 4512/4885MAPT 3004/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC LMNA 4743/4885NPSR1 4420/4885MAPT 2906/4885

“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.

Send feedback