SCHEMBL4408602

SCHEMBL4408602

Cc1cccc(NC(=O)OC2CN3CCC2CC3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
MAPT P10636 1/20 0.74
CHRNA7 P36544 4/20 0.72
BCHE P06276 1/20 0.72
ACHE P22303 1/20 0.72
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
GAA P10253 1/20 0.61
ATM Q13315 1/20 0.61
CHRM3 P20309 4/20 0.60
CHRM2 P08172 3/20 0.60
CHRM1 P11229 3/20 0.60

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
SCHEMBL373012 0.85 ALDH1A1 (0.74) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL7365487 0.85 MAPT (0.74) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL7366410 0.85 MAPT (1.00) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL7364408 0.85 MAPT (0.74) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL13595966 0.85 MAPT (0.74) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL373371 0.84 CHRNA7 (0.76) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL372135 0.84 CHRNA7 (1.00) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL372949 0.84 CHRNA7 (1.00) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL373197 0.84 CHRNA7 (1.00) ALDH1A1MAPTCHRNA7BCHEACHE
SCHEMBL13595715 0.84 CHRNA7 (0.79) ALDH1A1MAPTCHRNA7BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2014-03-06 US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
US-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-05-19 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders YALE UNIVERISTY (US) 2009-12-24 US disclosed
EP-1976519-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS Yale University (US) 2008-10-08 EP disclosed
WO-2007100430-A2 CYTISINE AND ACETYLCHOLINE ANALOGS AND METHODS OF TREATING MOOD DISORDERS YALE UNIVERSITY (US) 2007-09-07 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 (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-20110118325-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 ALDH1A1 4382/4885MAPT 2163/4885CHRNA7 4116/4885
US-20090318491-A1 Cytisine and Acetylcholine Analogs and Methods of Treating Mood Disorders CHRNA1, CHRNA5, CHRNA10 ALDH1A1 3397/4885MAPT 1059/4885CHRNA7 5/4885
US-20140066486-A1 REL INHIBITORS AND METHODS OF USE THEREOF REL, RCOR3, RBBP4 ALDH1A1 4382/4885MAPT 2163/4885CHRNA7 4116/4885

“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.