SCHEMBL8250809

SCHEMBL8250809

CC(C)NC(=O)NC1CCCCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 14/20 0.70
SMN1; SMN2 Q16637 3/20 0.67
ALDH1A1 P00352 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
KDM4E B2RXH2 1/20 0.67
CYP3A4 P08684 1/20 0.67
EPHX2 P34913 1/20 0.67
LMNA P02545 1/20 0.60
ATM Q13315 1/20 0.59
GLA P06280 1/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 1/20 0.54

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
SCHEMBL2625555 0.98 EPHX1 (0.67) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2625559 0.93 EPHX1 (0.61) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL15262638 0.91 EPHX1 (0.58) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2625568 0.91 EPHX1 (0.58) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23573334 0.83 ALDH1A1 (0.56) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL13127983 0.83 EPHX1 (0.61) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL23573335 0.83 ALDH1A1 (0.56) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL14654896 0.83 EPHX1 (0.66) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12521938 0.83 EPHX2 (0.65) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL12196071 0.83 EPHX1 (1.00) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
US-11718628-B2 SREBP inhibitors comprising a 6-membered central ring CAPULUS THERAPEUTICS, LLC (US) 2023-08-08 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same UNIVERSITY OF MIAMI (US) 2023-05-16 US disclosed
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI 2021-06-10 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-11028058-B2 Heterocyclic compounds as adenosine antagonists NUVATION BIO INC. (US) 2021-06-08 US disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 WO disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7879839-B2 For treatment and prevention of cardiac arrhythmias; (+-)-2-Morpholin-4-yl-2-phenyl-1,1-dipyridin-3-yl-ethanol; (+-)-2-[(2-methoxyethyl)(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol MERCK SHARP & DOHME CORP. (US) 2011-02-01 US disclosed
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES MEDIVATION TECHNOLOGIES, INC. 2010-08-26 US disclosed
US-20080108632-A1 HCV PROTEASE INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-05-08 US disclosed
US-20080090794-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME LLC 2008-04-17 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 US disclosed
US-7220532-B2 Chemical amplification type resist composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-22 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 (11 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-11718628-B2 SREBP inhibitors comprising a 6-membered central ring SREBF1, SREBF2, XBP1 EPHX1 4216/4885SMN1; SMN2 4012/4885ALDH1A1 2993/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV EPHX1 1885/4885SMN1; SMN2 2217/4885ALDH1A1 858/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 EPHX1 3164/4885SMN1; SMN2 4275/4885ALDH1A1 4699/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 EPHX1 3213/4885SMN1; SMN2 4324/4885ALDH1A1 4714/4885
US-20080090794-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 EPHX1 3127/4885SMN1; SMN2 4477/4885ALDH1A1 2989/4885
US-20210171469-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX KINASE (\"NACK\") AND METHODS FOR USE OF THE SAME CHUK, NOTCH1, NUAK1 EPHX1 4113/4885SMN1; SMN2 4761/4885ALDH1A1 3741/4885
US-20080108632-A1 HCV PROTEASE INHIBITORS SERPINB1, HAVCR2, RNASE1 EPHX1 863/4885SMN1; SMN2 4155/4885ALDH1A1 490/4885
US-11028058-B2 Heterocyclic compounds as adenosine antagonists ADORA2A, ADORA3, ADORA1 EPHX1 2260/4885SMN1; SMN2 4476/4885ALDH1A1 2100/4885
US-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 EPHX1 1254/4885SMN1; SMN2 2106/4885ALDH1A1 1999/4885
US-20100216814-A1 PYRIDO[4,3-B]INDOLES CONTAINING RIGID MOIETIES HTR3B, HTR3D, HTR3A EPHX1 846/4885SMN1; SMN2 945/4885ALDH1A1 621/4885
US-11649214-B2 Inhibitors of the notch transcriptional activation complex kinase (“NACK”) and methods for use of the same NOTCH1, CHUK, CBFB EPHX1 3729/4885SMN1; SMN2 4745/4885ALDH1A1 3517/4885

“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.