SCHEMBL3672484

SCHEMBL3672484

CC(C)(C)NCC(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
SCHEMBL421063 1.00 KDM4E (0.61) KDM4EL3MBTL1ADRB2HIF1ATSHR
SCHEMBL421051 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110143886-B Process for the preparation of beta-arylaminoalkols such as tulobuterol, chlorpropaline, isoadrenaline dichloride and sotalol 北京化工大学 2022-11-01 CN disclosed
CN-107021884-B Method for efficiently synthesizing chiral 1, 2-amino alcohol by catalyzing alpha-aminoketone through Ir/f-amphox 武汉凯特立斯科技有限公司 2019-12-24 CN disclosed
CN-110143886-A The method of the preparation such as beta-aromatic alkamine drug of tulobuterol, Clorprenaline, isoproterenol and Sotalol 北京化工大学 2019-08-20 CN disclosed
EP-2173169-A1 NASAL AND OPHTHALMIC DELIVERY OF AQUEOUS CORTICOSTEROID SOLUTIONS CyDex Pharmaceuticals, Inc. (US) 2010-04-14 EP disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7495028-B2 R-bambuterol, its preparation and therapeutic uses TAN, WEN, DR. 2009-02-24 US disclosed
WO-2008005692-A2 INHALANT FORMULATION CONTAINING SULFOALKYL ETHER γ-CYCLODEXTRIN AND CORTICOSTEROID CYDEX PHARMACEUTICALS, INC. (US) 2008-01-10 WO disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-7247641-B2 Compounds, derivatives, compositions, preparation and uses MGI GP, INC. (US) 2007-07-24 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6898533-B1 Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2005-05-24 US disclosed
US-20040220749-A1 Methods for predicting the biological, chemical, and physical properties of molecules from their spectral properties THE GOVT. OF THE USA AS REPRESENTED BY THE SECRETARY OF THE DEPT. OF HEALTH & HUMAN SERVICES 2004-11-04 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
EP-0290122-B1 MORPHOLINE DERIVATIVES AND THEIR USE BEECHAM GROUP PLC (GB) 1992-12-23 EP disclosed
US-5082840-A Animal growth regulators BEECHAM GROUP P.L.C. (GB) 1992-01-21 US disclosed
US-4914202-A FOR IMPROVING FEED EFFICIENCY IN LIVESTOCK BEECHAM GROUP P.L.C. (GB) 1990-04-03 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 (2 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A KDM4E 4286/4885L3MBTL1 1791/4885ADRB2 264/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 KDM4E 2675/4885L3MBTL1 2250/4885ADRB2 577/4885

“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.