SCHEMBL4404604

SCHEMBL4404604

Cn1ccnc1CC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LPO P22079 1/20 0.41
TSHR P16473 2/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.34
TRPM5 Q9NZQ8 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
FNTA P49354 1/20 0.32

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
SCHEMBL13386387 0.83 FDPS (0.53) FDPSKMT2AMEN1LPOTSHR
SCHEMBL17713270 0.83 FDPS (0.53) FDPSKMT2AMEN1LPOTSHR
SCHEMBL4648500 0.81 FDPS (0.54) FDPSKMT2AMEN1LPOTSHR
SCHEMBL12384311 0.79 FDPS (0.45) FDPSKMT2AMEN1LPOTSHR
SCHEMBL18160689 0.79 FDPS (0.49) FDPSKMT2AMEN1LPOTSHR
SCHEMBL19214806 0.79 FDPS (0.49) FDPSKMT2AMEN1LPOTSHR
SCHEMBL19728354 0.79 FDPS (0.49) FDPSKMT2AMEN1LPOTSHR
SCHEMBL7154948 0.77 FDPS (0.48) FDPSKMT2AMEN1LPOTSHR
SCHEMBL4063363 0.77 FDPS (0.48) FDPSKMT2AMEN1LPOTSHR
SCHEMBL21025017 0.76 FNTA (0.44) FDPSKMT2AMEN1LPOTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof MAZE THERAPEUTICS, INC. (US) 2023-11-14 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2023-05-25 US disclosed
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests FMC CORPORATION (US) 2023-02-14 US disclosed
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2023-02-09 US disclosed
US-11014921-B2 Therapeutic compounds and methods of use thereof REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2021-05-25 US disclosed
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS FMC CORPORATION 2021-02-18 US disclosed
WO-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-10710975-B2 Oxopiperazine derivatives Inthera Bioscience AG (CH) 2020-07-14 US disclosed
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2020-06-02 US disclosed
US-8344138-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2013-01-01 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA SA (CH) 2010-01-07 US disclosed
US-7470696-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7408025-B2 Lipopeptides as antibacterial agents CUBIST PHARMACEUTICALS, INC. (US) 2008-08-05 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 US disclosed
WO-2006033990-A2 USE OF IONIC LIQUIDS AS COORDINATION LIGANDS FOR ORGANOMETALLIC CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-03-30 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 (12 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-20100004246-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 FDPS 4494/4885KMT2A 4282/4885MEN1 4868/4885
US-11814367-B2 Inhibitors of glycogen synthase 1 (GYS1) and methods of use thereof GYS2, GYS1, PYGL FDPS 533/4885KMT2A 3378/4885MEN1 1095/4885
US-10710975-B2 Oxopiperazine derivatives CYP3A5, AQP1, AVPR2 FDPS 972/4885KMT2A 3299/4885MEN1 4224/4885
US-20210045388-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 FDPS 3383/4885KMT2A 1772/4885MEN1 2213/4885
US-20230157293-A1 NAPHTHALENE ISOXAZOLINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS RDX, RPS4X, CYP4X1 FDPS 3383/4885KMT2A 1772/4885MEN1 2213/4885
US-11014921-B2 Therapeutic compounds and methods of use thereof CD47, C3AR1, HLA-DRB1 FDPS 1361/4885KMT2A 2365/4885MEN1 201/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK FDPS 413/4885KMT2A 2987/4885MEN1 2003/4885
US-10669252-B2 Benzazepine derivative, preparation method, pharmaceutical composition and use thereof TLR8, TLR1, TLR5 FDPS 2178/4885KMT2A 751/4885MEN1 2449/4885
US-20230043863-A1 HETEROAROMATIC DERIVATIVES FOR USE AS REGULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, RORB FDPS 319/4885KMT2A 2361/4885MEN1 2377/4885
US-11576382-B2 Naphthalene isoxazoline compounds for controlling invertebrate pests RDX, RPS4X, CYP4X1 FDPS 3383/4885KMT2A 1772/4885MEN1 2213/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK FDPS 498/4885KMT2A 1713/4885MEN1 2476/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 FDPS 1879/4885KMT2A 1554/4885MEN1 2912/4885

“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.