SCHEMBL421063

SCHEMBL421063

CC(C)(C)NC[C@H](O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ADRB2 P07550 4/20 0.59
HIF1A Q16665 3/20 0.59
TSHR P16473 3/20 0.59
LMNA P02545 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CASP7 P55210 1/20 0.59
KMT2A Q03164 1/20 0.59
CYP2D6 P10635 3/20 0.59
ADRB1 P08588 2/20 0.59
NFKB1 P19838 2/20 0.59
BLM P54132 1/20 0.57
AOC3 Q16853 3/20 0.57
RIPK1 Q13546 1/20 0.53
HTR1A P08908 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53

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
SCHEMBL421051 1.00 KDM4E (0.61) KDM4EL3MBTL1ADRB2HIF1ATSHR
SCHEMBL3672484 1.00 KDM4E (0.61) KDM4EL3MBTL1ADRB2HIF1ATSHR
SCHEMBL11372834 0.85 AOC3 (0.58) KDM4EL3MBTL1LMNAKMT2ACYP2D6
Fepradinol SCHEMBL151235 0.83 KDM4E (0.55) KDM4EL3MBTL1ADRB2LMNAKMT2A
SCHEMBL21616540 0.83 ADRB2 (0.58) KDM4EADRB2HIF1ATSHRLMNA
SCHEMBL30534867 0.82 HIF1A (0.68) KDM4EADRB2HIF1ATSHRLMNA
SCHEMBL28319296 0.82 ADRB2 (0.58) KDM4EADRB2HIF1ATSHRLMNA
SCHEMBL6464765 0.82 HIF1A (0.68) KDM4EADRB2HIF1ATSHRLMNA
Fepradinol SCHEMBL29454386 0.82 KDM4E (0.53) KDM4EL3MBTL1ADRB2LMNAKMT2A
SCHEMBL12205817 0.81 HRH1 (0.52) ADRB2HIF1ACYP2D6ADRB1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2021-07-20 US disclosed
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 US disclosed
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-03-12 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-03-15 US disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9879025-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-9862715-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-09 US disclosed
EP-2419213-B1 BICYCLIC ORGANOSILICON COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2017-08-16 EP disclosed
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS ROYALTY SECURITY, LLC 2017-02-02 US disclosed
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-01-08 US disclosed
US-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
EP-2083920-B1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE WEI EDWARD TAK (US) 2011-10-05 EP disclosed
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE WEI EDWARD TAK 2010-02-18 US disclosed
EP-2083920-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE Wei, Edward T. (US) 2009-08-05 EP disclosed
US-7495028-B2 R-bambuterol, its preparation and therapeutic uses TAN, WEN, DR. 2009-02-24 US disclosed
US-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods WEI EDWARD T 2008-05-22 US disclosed
WO-2008056118-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE PAGET, HUGH, CHARLES, EDWARD (GB) 2008-05-15 WO disclosed
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods WEI EDWARD T 2007-07-05 US 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 (11 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-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 KDM4E 1043/4885L3MBTL1 2640/4885ADRB2 1888/4885
US-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 KDM4E 1071/4885L3MBTL1 1470/4885ADRB2 4577/4885
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 KDM4E 1043/4885L3MBTL1 2640/4885ADRB2 1888/4885
US-11065231-B2 Compounds and methods for the targeted degradation of interleukin-1 receptor- associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 KDM4E 1071/4885L3MBTL1 1470/4885ADRB2 4577/4885
US-20080118558-A1 N-Arylshydroxyalkylidene carboxamide compositions and methods TRPV1, OPRL1, HRH2 KDM4E 1668/4885L3MBTL1 4503/4885ADRB2 782/4885
US-20180072712-A1 THIAZOLYL- OR THIADIAZOLYL-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK3 KDM4E 307/4885L3MBTL1 944/4885ADRB2 2886/4885
US-20150011532-A1 HETEROCYCLIC-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE INHIBITORS IRAK4, IRAK1, IRAK2 KDM4E 177/4885L3MBTL1 1642/4885ADRB2 3332/4885
US-20070155755-A1 N-arylshydroxyalkylidene-carboxamide compositions and methods TRPV1, OPRL1, HRH2 KDM4E 1772/4885L3MBTL1 4521/4885ADRB2 618/4885
US-10227340-B2 Thiazolyl- or thiadiazolyl-substituted pyridyl compounds useful as kinase inhibitors IRAK4, IRAK1, IRAK3 KDM4E 307/4885L3MBTL1 944/4885ADRB2 2886/4885
US-20170029433-A1 TRANSFER HYDROGENATION OF CYCLOPAMINE ANALOGS HVCN1, KCNQ4, KCNQ5 KDM4E 1043/4885L3MBTL1 2640/4885ADRB2 1888/4885
US-20100041757-A1 N-ARYL-HYDROXYALKYLIDENE-CARBOXAMIDE COMPOUNDS AND THEIR USE TRPV1, TRPA1, TRPV2 KDM4E 1309/4885L3MBTL1 4119/4885ADRB2 662/4885

“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.