SCHEMBL2494065

SCHEMBL2494065

CC(C)Cc1ccnc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
NCF1 P14598 1/20 0.47
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ELANE P08246 1/20 0.42
AAK1 Q2M2I8 1/20 0.42
FERMT2 Q96AC1 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41

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
SCHEMBL12749711 0.87 KDM4E (0.48) LOXL2CYP3A4HIF1AKDM4EALDH1A1
SCHEMBL22401382 0.85 LOXL2 (0.59) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL11904338 0.81 LOXL2 (0.58) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL25820089 0.81 PIK3CA (0.51) LOXL2AAK1
SCHEMBL23841191 0.80 LOXL2 (0.37) LOXL2AAK1
SCHEMBL26747851 0.80 APAF1 (0.52) LOXL2CYP1A2KDM4EALDH1A1LMNA
SCHEMBL24292895 0.79 GABRA1 (0.38) LOXL2KDM4ELMNAMAPT
SCHEMBL25820095 0.79 HTR1A (0.51) LOXL2HTR1AADRA1DADRA1AADRA1B
SCHEMBL14986059 0.79 LOXL2 (0.47) LOXL2NCF1HTR1AADRA1DADRA1A
SCHEMBL14010021 0.78 LOXL2 (0.38) LOXL2CYP3A4CYP2D6HIF1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400229-B1 18/19F-LABELLED COMPOUNDS WHICH TARGET THE PROSTATE SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2024-03-06 EP disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use PLIANT THERAPEUTICS, INC. (US) 2024-01-02 US disclosed
EP-2775839-B1 METHODS FOR ASSESSING REPELLANT QUALITY OF ORGANIC MATERIALS AND METHODS AND COMPOSITIONS FOR REPELLING ARTHROPODS UNIV CALIFORNIA (US) 2023-12-06 EP disclosed
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 US disclosed
CN-110891615-B System and method for selecting and releasing fragrance 阿甘香气及精细化学有限公司 2022-08-05 CN disclosed
US-11352350-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2022-06-07 US disclosed
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING Research Foundation ITSUU Laboratory and Shionogi & Co., Ltd. 2010-10-07 US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
US-20080182855-A1 Antibacterial Quinoline Derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-31 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 US disclosed
US-20070082908-A1 Bicycle pyrazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-12 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 (10 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL LOXL2 888/4885NCF1 126/4885HTR1A 3143/4885
US-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR LOXL2 2173/4885NCF1 1223/4885HTR1A 3416/4885
US-20080182855-A1 Antibacterial Quinoline Derivatives NDUFB5, NQO2, MT-ND5 LOXL2 3398/4885NCF1 762/4885HTR1A 3992/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA LOXL2 4192/4885NCF1 1002/4885HTR1A 2664/4885
US-11352350-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 LOXL2 881/4885NCF1 2891/4885HTR1A 3837/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G LOXL2 4346/4885NCF1 1159/4885HTR1A 3598/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK LOXL2 2568/4885NCF1 144/4885HTR1A 1974/4885
US-20070082908-A1 Bicycle pyrazole derivative DPP4, DPP7, DPP3 LOXL2 4753/4885NCF1 4491/4885HTR1A 687/4885
US-11858931-B2 Amino acid compounds with unbranched linkers and methods of use ITGA2B, ITGB6, ITGB1 LOXL2 3376/4885NCF1 396/4885HTR1A 1850/4885
US-20100256355-A1 OXAZOLIDINONE DERIVATIVE HAVING 7-MEMBERED HETERO RING NR0B2, NR0B1, NR2C2 LOXL2 2114/4885NCF1 1087/4885HTR1A 2933/4885

“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.