SCHEMBL5177002

SCHEMBL5177002

Cc1ccc(C(C)C)cc1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
PTGS1 P23219 2/20 0.50
TRPA1 O75762 1/20 0.50
CACNA1C Q13936 1/20 0.50
TSHR P16473 2/20 0.45
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1H O95180 1/20 0.40
MCL1 Q07820 1/20 0.40
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL29373345 0.86 TSHR (0.43) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL16956259 0.84 TSHR (0.42) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL14549022 0.83 LMNA (0.47) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL171743 0.83 MAOA (0.46) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL11793526 0.79 MCL1 (0.40) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL16953669 0.79 TSHR (0.41) LMNATSHRALDH1A1CACNA1HCYP1A2
SCHEMBL18927428 0.78 TSHR (0.37) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL24352667 0.78 MCL1 (0.39) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL21135649 0.78 ALDH1A1 (0.41) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL879123 0.78 PGR (0.43) LMNATSHRALDH1A1CACNA1HMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2024-01-25 US disclosed
US-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2023-10-19 US disclosed
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 BRISTOL MYERS SQUIBB CO (US) 2023-10-12 US disclosed
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections INSILICO MEDICINE IP LIMITED (HK) 2023-08-22 US disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS INSILICO MEDICINE IP LIMITED (HK) 2023-06-22 US disclosed
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF GILEAD SCIENCES, INC. 2023-05-11 US disclosed
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-06-24 US disclosed
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-8349858-B2 Polycyclic guanine derivatives and use thereof MERCK SHARP & DOHME (US) 2013-01-08 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 US disclosed
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF SCHERING CORPORATION 2011-03-17 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2007145569-A1 AMINO-IMIDAZOLONES AND THEIR USE AS A MEDICAMENT FOR TREATING COGNITIVE IMPAIRMENT, ALZHEIMER DISEASE, NEURODEGENERATION AND DEMENTIA ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
EP-1751121-A2 PROCESS FOR THE PREPARATION OF ANASTROZOLE Sicor Inc. (US) 2007-02-14 EP disclosed
WO-2006108155-A2 PROCESS FOR THE PREPARATION OF ANASTROZOLE SICOR, INC. (US) 2006-10-12 WO 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-20230331681-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, ADRM1, CRBN LMNA 2916/4885PTGS1 4119/4885TRPA1 4850/4885
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 LMNA 4613/4885PTGS1 940/4885TRPA1 1166/4885
US-20230148157-A1 SUBSTITUTED PYRROLIZINE COMPOUNDS AND USES THEREOF HMBS, DHFR, HCCS LMNA 2510/4885PTGS1 579/4885TRPA1 4868/4885
US-20240025860-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 LMNA 3549/4885PTGS1 919/4885TRPA1 2192/4885
US-20210040087-A1 SOMATOSTATIN MODULATORS AND USES THEREOF SSTR5, SSTR2, SSTR4 LMNA 3475/4885PTGS1 1247/4885TRPA1 1736/4885
US-20110065738-A1 POLYCYCLIC GUANINE DERIVATIVES AND USE THEREOF GDA, HPRT1, GMPS LMNA 2318/4885PTGS1 252/4885TRPA1 2033/4885
US-20230192624-A1 SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS ACE2, ACE, SARS1 LMNA 3549/4885PTGS1 919/4885TRPA1 2192/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 LMNA 3442/4885PTGS1 249/4885TRPA1 3/4885
US-20230322770-A1 SUBSTITUTED HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF TLR9 TLR9, TLR3, TLR1 LMNA 734/4885PTGS1 611/4885TRPA1 1608/4885
US-11731944-B2 SARS-CoV-2 inhibitors for treating coronavirus infections ACE2, ACE, SARS1 LMNA 3549/4885PTGS1 919/4885TRPA1 2192/4885
US-20210188843-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS GLS2, RECQL, PYGL LMNA 1078/4885PTGS1 991/4885TRPA1 4361/4885
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 LMNA 2268/4885PTGS1 1014/4885TRPA1 2634/4885

“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.