SCHEMBL8396016

SCHEMBL8396016

CCCNC(=O)NCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.54
DNM1 Q05193 2/20 0.53
KDM4C Q9H3R0 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 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
SCHEMBL1533471 0.91 CA1 (0.50) EPHX1DNM1CA1CA2CA12
Hydrochloric Acid SCHEMBL10856379 0.88 DNM1 (0.48) EPHX1DNM1CA1CA2CA12
SCHEMBL3633166 0.86 DNM1 (0.48) EPHX1DNM1CA1CA2CA12
SCHEMBL319971 0.83 EPHX1 (0.71) EPHX1KDM4CKDM4EMEN1KMT2A
SCHEMBL21529732 0.80 CYP2C9 (0.52) EPHX1DNM1CA1CA2CA12
SCHEMBL836639 0.79 PRMT3 (0.46) DNM1CA1CA2CA12CA9
SCHEMBL20972405 0.78 EPHX1 (0.63) EPHX1DNM1KDM4E
SCHEMBL19849365 0.78 DNM1 (0.42) EPHX1DNM1CA1CA2CA12
SCHEMBL5779247 0.78 EPHX1 (0.65) EPHX1KDM4CKDM4EMEN1KMT2A
Dimethylamine SCHEMBL10414531 0.78 EPHX1 (0.65) EPHX1KDM4CKDM4EMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022075347-A1 METHOD FOR PRODUCING OCTAHYDROTHIENOQUINOLINE COMPOUND, AND PRODUCTION INTERMEDIATE OF SAME キッセイ薬品工業株式会社 2022-04-14 WO disclosed
US-10266484-B2 Biodegradable lipids for the delivery of active agents ALNYLAM PHARMACEUTICALS, INC. (US) 2019-04-23 US disclosed
US-20180065920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS BANK OF AMERICA, N.A. 2018-03-08 US disclosed
US-20170233734-A1 NUCLEIC ACID LIPID PARTICLE FORMULATIONS ALNYLAM PHARMACEUTICALS INC (US) 2017-08-17 US disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20080132500-A1 Antibiotic compounds MERCK SHARP & DOHME CORP. 2008-06-05 US disclosed
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-13 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (8 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-10266484-B2 Biodegradable lipids for the delivery of active agents LIPA, CETP, APOB EPHX1 3557/4885DNM1 442/4885KDM4C 4330/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 EPHX1 2528/4885DNM1 854/4885KDM4C 4646/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR EPHX1 1955/4885DNM1 3431/4885KDM4C 4734/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 EPHX1 2034/4885DNM1 1858/4885KDM4C 980/4885
US-20080064718-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET EPHX1 2705/4885DNM1 1400/4885KDM4C 3261/4885
US-20180065920-A1 BIODEGRADABLE LIPIDS FOR THE DELIVERY OF ACTIVE AGENTS LIPA, CETP, APOB EPHX1 3557/4885DNM1 442/4885KDM4C 4330/4885
US-20170233734-A1 NUCLEIC ACID LIPID PARTICLE FORMULATIONS LIPA, ABHD16A, CETP EPHX1 3748/4885DNM1 984/4885KDM4C 3847/4885
US-20080132500-A1 Antibiotic compounds NRDC, MRPL21, PEPD EPHX1 4480/4885DNM1 1231/4885KDM4C 4787/4885

“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.