SCHEMBL1448032

SCHEMBL1448032

COC(=O)C1Cc2ccccc2N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
REN P00797 2/20 0.45
KDM1A O60341 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
BCHE P06276 1/20 0.41
PDE4B Q07343 1/20 0.41
NOTUM Q6P988 1/20 0.40
BRD4 O60885 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL17158249 0.88 KDM1A (0.49) NAMPTRENKDM1AHDAC1HDAC6
SCHEMBL7633049 0.87 MCL1 (0.46) NAMPTKDM1ABCHENOTUMMAPT
SCHEMBL17158286 0.85 PDE4B (0.42) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL6648174 0.81 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL16353667 0.81 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL14587286 0.81 KDM1A (0.46) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL14587287 0.81 KDM1A (0.46) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL16385108 0.81 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL16353535 0.81 NOTUM (0.47) NAMPTKDM1AHDAC1HDAC6BCHE
SCHEMBL23228659 0.81 USP30 (0.43) KDM1AHDAC1HDAC6BCHENOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2017-05-18 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-9598371-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2017-03-21 US disclosed
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-03-17 US disclosed
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN ATLANTIS HOLDINGS SA (CH) 2016-03-17 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 US disclosed
US-9227919-B2 Arylalkylamine compounds as calcium sensing receptor modulators LUPIN LIMITED (IN) 2016-01-05 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-20050043290-A1 Cyclic amine BACE-1 inhibitors having a heterocyclic substituent BACE1, BACE2, PSEN1 NAMPT 4415/4885REN 251/4885KDM1A 2655/4885
US-20050119227-A1 Cyclic amine bace-1 inhibitors having a benzamide substituent BACE1, BACE2, BCHE NAMPT 1756/4885REN 1130/4885KDM1A 757/4885
US-20090312341-A1 CYCLIC AMINE BACE-1 INHIBITORS HAVING A HETEROCYCLIC SUBSTITUENT BACE1, BACE2, PSEN1 NAMPT 4415/4885REN 251/4885KDM1A 2655/4885
US-20170137371-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 NAMPT 3418/4885REN 829/4885KDM1A 2847/4885
US-20160075655-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS CASR, RYR2, ORAI1 NAMPT 3418/4885REN 829/4885KDM1A 2847/4885

“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.