SCHEMBL4936016

SCHEMBL4936016

CC(C)(CN)CNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2C19 P33261 2/20 0.36
FPR3 P25089 3/20 0.33
FPR2 P25090 3/20 0.33
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 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
SCHEMBL11982017 0.89 KDM4E (0.43) KDM4ECYP2D6SMN1; SMN2HSD17B10CYP2C19
Cyclohexanol SCHEMBL9499915 0.82 SMN1; SMN2 (0.45) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL21172271 0.82 KDM4E (0.45) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL13463180 0.81 KDM4E (0.43) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL27837325 0.79 KDM4E (0.41) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL1979548 0.78 SMN1; SMN2 (0.38) KDM4ECYP2D6SMN1; SMN2HSD17B10CYP2C19
SCHEMBL6729276 0.78 SMN1; SMN2 (0.38) KDM4ECYP2D6SMN1; SMN2HSD17B10CYP2C19
SCHEMBL9501573 0.77 KDM4E (0.40) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL13037023 0.77 KDM4E (0.40) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3
SCHEMBL18569933 0.77 MEN1 (0.43) KDM4ECYP2D6SMN1; SMN2HSD17B10FPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615537-B1 6-6 FUSED BICYCLIC HETEROARYL COMPOUNDS AND THEIR USE AS LATS INHIBITORS NOVARTIS AG (CH) 2024-03-06 EP disclosed
US-20230407285-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF DOGMA THERAPEUTICS, INC. 2023-12-21 US disclosed
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
US-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER PURDUE RESEARCH FOUNDATION 2023-08-10 US disclosed
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors NOVARTIS INSTITUTE FOR FUNTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2023-06-22 US disclosed
EP-4178574-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER Purdue Research Foundation (US) 2023-05-17 EP disclosed
WO-2023076598-A1 LIPID AMINES MODERNATX, INC. (US) 2023-05-04 WO disclosed
US-11603523-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2023-03-14 US disclosed
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2022-07-14 US disclosed
EP-3707138-B1 ISOFURANONE COMPOUNDS USEFUL AS HPK1 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-07-13 EP disclosed
WO-2014062636-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
US-8697706-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-15 US disclosed
US-8629150-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-01-14 US disclosed
US-20130095063-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 US disclosed
WO-2013055563-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
WO-2013048995-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20130078214-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
US-20080096861-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 US disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 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 (9 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-20230248835-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR THE TREATMENT OF FIBROTIC DISEASES AND CANCER TLR9, TLR8, TLR7 KDM4E 1873/4885CYP2D6 4510/4885SMN1; SMN2 2598/4885
US-20230407285-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 KDM4E 2636/4885CYP2D6 2009/4885SMN1; SMN2 4857/4885
US-11603523-B2 PCSK9 inhibitors and methods of use thereof PCSK9, PCSK7, PCSK6 KDM4E 2636/4885CYP2D6 2009/4885SMN1; SMN2 4857/4885
US-20230190751-A1 6-6 Fused Bicyclic Heteroaryl Compounds and their Use as LATS Inhibitors LATS1, LATS2, LSS KDM4E 3859/4885CYP2D6 12/4885SMN1; SMN2 1785/4885
US-20080096861-A1 Chemical Compounds CCR5, CXCR4, CXCR3 KDM4E 3962/4885CYP2D6 4070/4885SMN1; SMN2 4801/4885
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 KDM4E 2125/4885CYP2D6 637/4885SMN1; SMN2 4069/4885
US-20220220122-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 KDM4E 2559/4885CYP2D6 3256/4885SMN1; SMN2 3651/4885
US-20130095063-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS KDM4E 4422/4885CYP2D6 300/4885SMN1; SMN2 2944/4885
US-20130078214-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS KDM4E 4422/4885CYP2D6 300/4885SMN1; SMN2 2944/4885

“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.