SCHEMBL1448652

SCHEMBL1448652

CC(C)(C)OC(=O)N1C[C@H](Oc2ccccc2)C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 14/20 0.51
P2RX3 P56373 1/20 0.46
ABCB1 P08183 1/20 0.45
FKBP1A P62942 2/20 0.43
BCL2 P10415 1/20 0.43

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
SCHEMBL23491959 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL12742659 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL6974007 1.00 MCL1 (0.51) MCL1P2RX3ABCB1FKBP1ABCL2
SCHEMBL23491353 0.93 MCL1 (0.54) MCL1P2RX3BCL2
SCHEMBL15888149 0.92 MCL1 (0.49) MCL1P2RX3ABCB1BCL2
SCHEMBL5963763 0.90 MCL1 (0.54) MCL1BCL2
SCHEMBL1448111 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL7703700 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL21273903 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A
SCHEMBL7279798 0.89 ABCB1 (0.54) MCL1ABCB1FKBP1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062007-B2 Cyclic amide BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-9062007-B2 Cyclic amide BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2015-06-23 US disclosed
US-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2014-05-08 US disclosed
US-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2014-05-08 US disclosed
US-8623867-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-8623867-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent MERCK SHARP & DOHME CORP. (US) 2014-01-07 US disclosed
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT Merck, Sharp & Dohme Corp. (US) 2013-01-03 US disclosed
US-8278334-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent Merck, Sharp & Dohme Corp. (US) 2012-10-02 US disclosed
US-8278334-B2 Cyclic amine BACE-1 inhibitors having a benzamide substituent Merck, Sharp & Dohme Corp. (US) 2012-10-02 US disclosed
US-7910590-B2 Cyclic amine bace-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2011-03-22 US disclosed
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION 2009-12-17 US disclosed
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
EP-1660443-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORP (US) 2009-03-04 EP disclosed
EP-1660447-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORP (US) 2008-07-30 EP disclosed
EP-1660447-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2006-05-31 EP disclosed
EP-1660443-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2006-05-31 EP disclosed
US-20050119227-A1 Cyclic amine bace-1 inhibitors having a benzamide substituent SCHERING CORPORATION 2005-06-02 US disclosed
WO-2005016876-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2005-02-24 WO disclosed
US-20050043290-A1 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY INC. 2005-02-24 US disclosed
WO-2005014540-A1 CYCLIC AMINE BASE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORPORATION (US) 2005-02-17 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 (5 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-20140128361-A1 CYCLIC AMIDE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE MCL1 3050/4885P2RX3 2982/4885ABCB1 270/4885
US-20050043290-A1 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent BACE1, BACE2, PSEN1 MCL1 1824/4885P2RX3 2056/4885ABCB1 301/4885
US-20050119227-A1 Cyclic amine bace-1 inhibitors having a benzamide substituent BACE1, BACE2, BCHE MCL1 3107/4885P2RX3 2875/4885ABCB1 236/4885
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE MCL1 3107/4885P2RX3 2875/4885ABCB1 236/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 MCL1 1824/4885P2RX3 2056/4885ABCB1 301/4885

“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.