SCHEMBL475774

SCHEMBL475774

O=C[C@H](Cc1cc(F)cc(F)c1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BACE1 P56817 2/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
TAS2R14 Q9NYV8 2/20 0.33
KCNA5 P22460 1/20 0.33
EPHX1 P07099 1/20 0.33
CTSD P07339 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL475776 1.00 TDP1 (0.36) TDP1MEN1KMT2ASIGMAR1L3MBTL1
SCHEMBL14130060 1.00 TDP1 (0.36) TDP1MEN1KMT2ASIGMAR1L3MBTL1
SCHEMBL475507 0.90 SLC1A1 (0.43) TDP1MEN1KMT2AL3MBTL1TAS2R14
SCHEMBL475506 0.90 SLC1A1 (0.43) TDP1MEN1KMT2AL3MBTL1TAS2R14
SCHEMBL475431 0.85 EPHX1 (0.44) MEN1KMT2ASIGMAR1L3MBTL1EPHX1
SCHEMBL475432 0.85 EPHX1 (0.44) MEN1KMT2ASIGMAR1L3MBTL1EPHX1
SCHEMBL3855296 0.82 MEN1 (0.34) MEN1KMT2ABACE1BACE2TAS2R14
SCHEMBL3855298 0.82 MEN1 (0.34) MEN1KMT2ABACE1BACE2TAS2R14
SCHEMBL14145919 0.81 SIGMAR1 (0.32) TDP1MEN1KMT2ASIGMAR1SCN5A
SCHEMBL268576 0.80 DPP4 (0.45) TDP1SIGMAR1KCNA5

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 31 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-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-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2013-04-25 US disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 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-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BILCER GEOFFREY M (US) 2012-11-22 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-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2012-08-23 US disclosed
EP-2486006-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-08-15 EP 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
US-7598250-B2 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent SCHERING CORPORATION (US) 2009-10-06 US disclosed
EP-1660447-B1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT SCHERING CORP (US) 2008-07-30 EP disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors ELAN PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
WO-2006026532-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING SUBSTITUTED ETHANOLCYCLICAMINE ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed
WO-2006026533-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING ETHANOL CYCLICAMINE DERIVATIVES ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-03-09 WO disclosed
WO-2005016876-A2 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT SCHERING CORPORATION (US) 2005-02-24 WO 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 (8 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 TDP1 1587/4885MEN1 4054/4885KMT2A 1781/4885
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP TDP1 226/4885MEN1 3866/4885KMT2A 3384/4885
US-20130004518-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A BENZAMIDE SUBSTITUENT BACE1, BACE2, BCHE TDP1 1135/4885MEN1 3619/4885KMT2A 1537/4885
US-20120295894-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TDP1 136/4885MEN1 3898/4885KMT2A 3235/4885
US-20080166332-A1 Methods of Treatment of Amyloidosis Using Subsituted Ethanolcyclicamine Aspartyl Protease Inhibitors AMY1A, AMY2A, DNPEP TDP1 238/4885MEN1 1763/4885KMT2A 2919/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 TDP1 128/4885MEN1 4021/4885KMT2A 3816/4885
US-20120214802-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TDP1 136/4885MEN1 3898/4885KMT2A 3235/4885
US-20130102593-A1 PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, APP TDP1 136/4885MEN1 3898/4885KMT2A 3235/4885

“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.