SCHEMBL9917273

SCHEMBL9917273

CC(=O)N1CCCC(C(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2A P28223 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
LMNA P02545 1/20 0.36
EPHX1 P07099 1/20 0.36
HSD11B1 P28845 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CHRNB2 P17787 1/20 0.35

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
SCHEMBL13781666 1.00 EPHX2 (0.46) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL13781667 1.00 EPHX2 (0.46) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL1104706 0.88 EPHX2 (0.53) EPHX2SMN1; SMN2CYP2D6KCNH2HRH3
SCHEMBL12384517 0.88 EPHX2 (0.53) EPHX2SMN1; SMN2CYP2D6KCNH2HRH3
SCHEMBL25018493 0.88 EPHX2 (0.57) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL14904406 0.87 EPHX2 (0.38) EPHX2SMN1; SMN2ALDH1A1MAPK1HTR2A
SCHEMBL13225910 0.85 EPHX2 (0.58) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL21340435 0.85 CYP2D6 (0.38) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL24777816 0.85 CYP2D6 (0.38) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2
SCHEMBL28240876 0.85 CYP2D6 (0.38) EPHX2SMN1; SMN2ALDH1A1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030883-B2 Hetero-tricyclic compounds as inhibitors of KRAS INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20230174555-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION 2023-06-08 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2023-05-11 US disclosed
EP-3675858-B1 IMIDAZO[1,5-A]PYRAZINE COMPOUNDS AND COMPOSITIONS FOR IRE1 INHIBITION OPTIKIRA LLC (US) 2023-04-26 EP disclosed
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2022-11-15 US disclosed
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-06-23 US disclosed
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof ARAXES PHARMA LLC (US) 2022-06-14 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition Optikira, LLC 2022-05-19 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-02-04 US disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 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 (15 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT EPHX2 533/4885SMN1; SMN2 4547/4885ALDH1A1 947/4885
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 EPHX2 327/4885SMN1; SMN2 2352/4885ALDH1A1 684/4885
US-12030883-B2 Hetero-tricyclic compounds as inhibitors of KRAS KRAS, NRAS, HRAS EPHX2 1845/4885SMN1; SMN2 3910/4885ALDH1A1 3337/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EPHX2 327/4885SMN1; SMN2 2352/4885ALDH1A1 684/4885
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 EPHX2 3267/4885SMN1; SMN2 2247/4885ALDH1A1 2855/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK EPHX2 1704/4885SMN1; SMN2 4194/4885ALDH1A1 2583/4885
US-11358959-B2 Benzothiophene and benzothiazole compounds and methods of use thereof KRAS, NRAS, RB1 EPHX2 2417/4885SMN1; SMN2 2190/4885ALDH1A1 959/4885
US-20230147053-A1 FUSED N-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS EPHX2 647/4885SMN1; SMN2 970/4885ALDH1A1 1402/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK EPHX2 2689/4885SMN1; SMN2 1569/4885ALDH1A1 1744/4885
US-20230174555-A1 NAPHTHYRIDINE COMPOUNDS AS INHIBITORS OF KRAS KRAS, NRAS, HRAS EPHX2 3471/4885SMN1; SMN2 2762/4885ALDH1A1 2186/4885
US-20220194945-A1 Imidazolopyridine Compounds For IRE1 Inhibition XBP1, ERN2, ERN1 EPHX2 1576/4885SMN1; SMN2 88/4885ALDH1A1 2541/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885SMN1; SMN2 4086/4885ALDH1A1 1168/4885
US-11498926-B2 Tricyclic heterocycles as BET protein inhibitors BRD1, BRD3, BRD2 EPHX2 3568/4885SMN1; SMN2 4578/4885ALDH1A1 4459/4885
US-20220153734-A1 Pyrazolopyridine Compounds For IRE1 Inhibition XBP1, ERN1, ERN2 EPHX2 1580/4885SMN1; SMN2 152/4885ALDH1A1 2438/4885
US-20100028299-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 EPHX2 3267/4885SMN1; SMN2 2247/4885ALDH1A1 2855/4885

“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.