SCHEMBL9283307

SCHEMBL9283307

CCCN(CCC)CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL9284847 0.94 TDP1 (0.33) TDP1KDM4ETSHRHRH3CA12
SCHEMBL13407604 0.89 CA12 (0.33) TDP1KDM4ECA12CA9
SCHEMBL864675 0.88 KCNH2 (0.31) TDP1TSHRHRH3
SCHEMBL25471529 0.87 LCK (0.31) TDP1KDM4E
SCHEMBL25926348 0.87 KDM4E (0.30) TDP1KDM4E
SCHEMBL10170642 0.87 CYP1A2 (0.34) TDP1KDM4ETSHRCA12CA2
SCHEMBL13154888 0.83 CACNA1B (0.31)
SCHEMBL23788767 0.83 ALDH1A1 (0.34)
SCHEMBL13407601 0.82 CA12 (0.36) TDP1TSHRCA12CA9
SCHEMBL9285784 0.80 CYP1A2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ALLCRON PHARMA INC. 2023-12-14 US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR NANJING CHIA TAI TIANQING PHARMACEUTICAL CO., LTD. (CN) 2023-07-20 US disclosed
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ALLCRON PHARMA INC. (US) 2023-07-11 US disclosed
US-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF ADVANCION CORPORATION 2023-04-27 US disclosed
WO-2009002534-A1 IMIDAZOPYRIDINYL THIAZOLYL HISTONE DEACETYLASE INHIBITORS GILEAD COLORADO, INC. (US) 2008-12-31 WO disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 US disclosed
US-7247644-B2 Ester derivatives of a decahydroisoquinoline-3-carboxylic acid as analgestics ELI LILLY AND COMPANY (US) 2007-07-24 US disclosed
US-20070105852-A1 Thiophene and furan compounds ELI LILLY AND COMPANY 2007-05-10 US disclosed
US-7205313-B2 Excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 2007-04-17 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
US-7160886-B2 Acylated piperazine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-01-09 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US disclosed
US-7157582-B2 Selective iGluR5 receptor antagonists ELI LILLY AND COMPANY (US) 2007-01-02 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 (14 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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH TDP1 4701/4885KDM4E 3629/4885TSHR 2042/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 TDP1 4530/4885KDM4E 4094/4885TSHR 396/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH TDP1 4535/4885KDM4E 3553/4885TSHR 1662/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH TDP1 4535/4885KDM4E 3553/4885TSHR 1662/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 TDP1 713/4885KDM4E 840/4885TSHR 3891/4885
US-20230399337-A1 NOVEL KINASE INHIBITORS EXHIBITING ANTI-CANCER ACTIVITY AND THEIR METHOD OF USE ABL1, MCL1, ABL2 TDP1 2741/4885KDM4E 705/4885TSHR 4640/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 TDP1 114/4885KDM4E 672/4885TSHR 3223/4885
US-20230130822-A1 LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF NME4, NMBR, NMUR1 TDP1 501/4885KDM4E 4748/4885TSHR 3306/4885
US-11697654-B2 Kinase inhibitors exhibiting anti-cancer activity and their method of use ABL1, MCL1, ABL2 TDP1 2152/4885KDM4E 632/4885TSHR 4532/4885
US-20230227484-A1 PYRIMIDINE COMPOUND AS AXL INHIBITOR AXL, FLT3, TYMP TDP1 1514/4885KDM4E 2147/4885TSHR 330/4885
US-20070105852-A1 Thiophene and furan compounds PSEN2, PSEN1, TPMT TDP1 287/4885KDM4E 1175/4885TSHR 980/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 TDP1 1306/4885KDM4E 2620/4885TSHR 315/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 TDP1 676/4885KDM4E 689/4885TSHR 3419/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH TDP1 4424/4885KDM4E 4570/4885TSHR 1357/4885

“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.