SCHEMBL1157053

SCHEMBL1157053

CCc1nccc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.36
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
NOS1 P29475 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MBOAT4 Q96T53 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2B P29275 1/20 0.33
NUDT1 P36639 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL26715370 0.84 HCRTR1 (0.45) NOS3NOS2NOS1HCRTR1HCRTR2
SCHEMBL4594754 0.82 SYK (0.36) SYKMBOAT4NUDT1
SCHEMBL2632840 0.82 MBOAT4 (0.44) SYKMBOAT4
SCHEMBL23767530 0.82 MBOAT4 (0.38) SYKNOS3NOS2NOS1MBOAT4
SCHEMBL19598857 0.82 SYK (0.36) SYKMBOAT4NUDT1NPC1RAB9A
SCHEMBL16544510 0.81 TLR8 (0.36) SYKHCRTR1HCRTR2MBOAT4
SCHEMBL16544519 0.80 KCNH2 (0.38) SYKHCRTR1HCRTR2KDM4E
SCHEMBL16841615 0.79 NUDT1 (0.34) SYKHCRTR1HCRTR2MBOAT4NUDT1
SCHEMBL22097217 0.79 SYK (0.34) SYKMBOAT4KDM4EMEN1HPGD
SCHEMBL23516851 0.76 MAPK8 (0.38) SYKNUDT1MEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF HANGZHOU ZHONGMEIHUADONG PHARMACEUTICAL CO., LTD. (CN) 2024-06-27 US disclosed
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS TERNS PHARMACEUTICALS, INC. 2023-10-12 US disclosed
US-20230312772-A1 Multidentate Lewis Base Catalysts and Methods for use Thereof EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-10-05 US disclosed
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor ACERTA PHARMA B.V. (NL) 2023-05-23 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS Terns, Inc. 2023-05-18 US disclosed
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2022-05-12 US disclosed
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-9949971-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor and/or a JAK-2 inhibitor ACERTA PHARMA B.V. (NL) 2018-04-24 US disclosed
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor ACERTA PHARMA BV (NL) 2017-05-18 US disclosed
US-8153632-B2 Oxygen linked pyrimidine derivatives S*BIO PTE LTD. (SG) 2012-04-10 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-8044211-B2 P38 MAP kinase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-10-25 US disclosed
US-8022209-B2 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2011-09-20 US disclosed
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 US disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 US disclosed
US-20090099185-A1 P38 Map Kinase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-04-16 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-12 US disclosed
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2008-11-13 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB SYK 4515/4885NOS3 4771/4885NOS2 4798/4885
US-20090099185-A1 P38 Map Kinase Inhibitors MAPK1, CNKSR1, MAPK3 SYK 1349/4885NOS3 397/4885NOS2 131/4885
US-20170136014-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor and/or a JAK-2 Inhibitor BTK, JAK2, JAK1 SYK 10/4885NOS3 2482/4885NOS2 1935/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 SYK 1166/4885NOS3 1487/4885NOS2 1689/4885
US-20090069305-A1 Substituted nitrogen-containing heteroaryl derivatives useful as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 SYK 3681/4885NOS3 599/4885NOS2 869/4885
US-20220144839-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 SYK 3203/4885NOS3 1014/4885NOS2 784/4885
US-11654143-B2 Therapeutic combinations of a BTK inhibitor, a PI3K inhibitor, a JAK-2 inhibitor, and/or a BCL-2 inhibitor BTK, JAK2, BCL9 SYK 15/4885NOS3 1974/4885NOS2 1384/4885
US-20080280973-A1 Laulimalide Analogues as Therapeutic Agents TUBB6, MAN2B1, TUBB1 SYK 4159/4885NOS3 4441/4885NOS2 4526/4885
US-20240208952-A1 THIOPHENE GLP-1 RECEPTOR AGONIST AND USE THEREOF GLP1R, GIPR, GCGR SYK 1379/4885NOS3 2395/4885NOS2 2621/4885
US-20230322758-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR SYK 3591/4885NOS3 3167/4885NOS2 4113/4885
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE NR4A3, NR2E1, NR2E3 SYK 602/4885NOS3 196/4885NOS2 1103/4885
US-20230150998-A1 COMPOUNDS AS GLP-1R AGONISTS GLP1R, GIPR, GCGR SYK 3591/4885NOS3 3167/4885NOS2 4113/4885
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 SYK 1820/4885NOS3 2512/4885NOS2 3472/4885
US-20190106427-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 SYK 2823/4885NOS3 4089/4885NOS2 3989/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 SYK 2227/4885NOS3 1616/4885NOS2 1794/4885

“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.