SCHEMBL9891797

SCHEMBL9891797

CC(C)C(=O)NC1CCN(C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
FPR2 P25090 1/20 0.44
ALDH1A1 P00352 1/20 0.41
P2RX4 Q99571 1/20 0.41
KDM5A P29375 1/20 0.41
CHRM1 P11229 1/20 0.41
EPHX2 P34913 3/20 0.41
EPHX1 P07099 1/20 0.41
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39

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
SCHEMBL18347953 0.89 KDM5A (0.45) KDM4EFPR2KDM5ACHRM1MTNR1A
SCHEMBL16078081 0.89 KDM5A (0.45) KDM4EFPR2KDM5ACHRM1MTNR1A
SCHEMBL13192995 0.89 KDM5A (0.45) KDM4EFPR2KDM5ACHRM1MTNR1A
SCHEMBL18389999 0.86 KDM4E (0.50) KDM4EFPR2ALDH1A1P2RX4KDM5A
SCHEMBL13321380 0.85 KDM4E (0.49) KDM4EFPR2ALDH1A1P2RX4EPHX2
SCHEMBL21835882 0.85 KDM4E (0.49) KDM4EFPR2ALDH1A1P2RX4EPHX2
SCHEMBL103477 0.83
SCHEMBL18880078 0.83 SMYD3 (0.47) EPHX2EPHX1MTNR1AMTNR1B
SCHEMBL9891911 0.82 EPHX2 (0.61) KDM5AEPHX2EPHX1
SCHEMBL21422748 0.82 KDM5A (0.40) KDM4EKDM5ACHRM1EPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof Sanford Burnham Prebys Medical Discovery Institute (US) 2023-08-22 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
EP-4198031-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-06-21 EP disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-20 US disclosed
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-20 US disclosed
WO-2010070032-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-24 WO disclosed
US-7671069-B2 Tricyclic, heteroaromatic compounds modulating CXCR4 and/ or CXCR7 CHEMOCENTRYX, INC. (US) 2010-03-02 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-20090105246-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090099170-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-16 US disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 US disclosed
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases BIOFOCUS DISCOVERY LTD. (GB) 2009-01-08 US disclosed
US-20090012080-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-01-08 US disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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 (12 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 KDM4E 1863/4885FPR2 152/4885ALDH1A1 2648/4885
US-20090012080-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1599/4885FPR2 3322/4885ALDH1A1 1825/4885
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF KDM4E 3956/4885FPR2 3324/4885ALDH1A1 1842/4885
US-20090012062-A1 Novel Substituted Pyrazinone Derivatives for Use in Mch-1 Mediated Diseases MCHR1, MCHR2, MC1R KDM4E 1660/4885FPR2 1809/4885ALDH1A1 954/4885
US-20090099170-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1599/4885FPR2 3322/4885ALDH1A1 1825/4885
US-11731986-B2 Inhibitors of low molecular weight protein tyrosine phosphatase (LMPTP) and uses thereof ACP1, PTPRCAP, PTPRO KDM4E 1140/4885FPR2 4578/4885ALDH1A1 4030/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 KDM4E 4483/4885FPR2 32/4885ALDH1A1 1767/4885
US-20090105246-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 KDM4E 1599/4885FPR2 3322/4885ALDH1A1 1825/4885
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 KDM4E 2165/4885FPR2 176/4885ALDH1A1 1590/4885
US-20230118688-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR1, TLR9 KDM4E 2165/4885FPR2 176/4885ALDH1A1 1590/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 KDM4E 791/4885FPR2 4163/4885ALDH1A1 2267/4885
US-20230122249-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS TLR7, TLR9, TLR1 KDM4E 2215/4885FPR2 192/4885ALDH1A1 1511/4885

“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.