SCHEMBL6037285

SCHEMBL6037285

CCCC(CCC)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23641692 0.88 FDPS (0.39) TSHRTDP1
SCHEMBL598909 0.87 TSHR (0.36) TSHR
SCHEMBL830295 0.86
SCHEMBL18994271 0.86 RIPK1 (0.31)
SCHEMBL11989614 0.86 DPP4 (0.42) TSHR
SCHEMBL19425714 0.86 FDPS (0.42) TSHR
SCHEMBL13782940 0.84
SCHEMBL11986743 0.82
SCHEMBL4659580 0.82 ALDH1A1 (0.33) TDP1
SCHEMBL1524875 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20240025849-A1 INHIBITORS OF NO PRODUCTION CHARITÉ - UNIVERSITÄTSMEDIZIN BERLIN (DE) 2024-01-25 US disclosed
US-11807644-B2 Methods and compounds for restoring mutant p53 function PMV PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists SENDA BIOSCIENCES, INC. 2023-10-19 US disclosed
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2023-09-21 US disclosed
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET C4 THERAPEUTICS, INC. (US) 2023-07-27 US disclosed
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR C4 THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS PMV PHARMACEUTICALS, INC. 2023-02-09 US disclosed
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT JANSSEN PHARMACEUTICA NV (BE) 2017-11-02 US disclosed
US-20170275290-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS INCYTE CORPORATION 2017-09-28 US disclosed
US-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY OXEIA BIOPHARMACEUTICALS, INC. (US) 2017-09-21 US disclosed
US-9765037-B2 Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2017-09-19 US disclosed
US-9732061-B2 Cinnoline derivatives useful as CB-1 receptor inverse agonists JANSSEN PHARMACEUTICA NV (BE) 2017-08-15 US disclosed
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2017-07-27 US disclosed
US-20170152260-A1 STAT3 INHIBITOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-06-01 US disclosed
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors PFIZER INC. (US) 2017-03-16 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20060222869-A1 Electropen lithography ENERGY, UNITED STATES DEPARTMENT 2006-10-05 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 (17 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-20170266257-A1 METHODS OF TREATING TRAUMATIC BRAIN INJURY ATP6V1B2, FABP7, GHSR TSHR 478/4885CHRM1 2204/4885AKR1A1 3489/4885
US-20170073343-A1 Novel Imidazo[4,5-c]Quinoline And Imidazo[4,5-c][1,5]Naphthyridine Derivatives As LRRK2 Inhibitors LRRK2, PARK7, SNCA TSHR 1893/4885CHRM1 22/4885AKR1A1 723/4885
US-20230295152-A1 PYRIDOPYRIMIDINONE DERIVATIVES AS AHR ANTAGONISTS AHR, ARNT, AIPL1 TSHR 1109/4885CHRM1 1894/4885AKR1A1 401/4885
US-20170210725-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 TSHR 505/4885CHRM1 146/4885AKR1A1 1743/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 TSHR 498/4885CHRM1 157/4885AKR1A1 1933/4885
US-20170275290-A1 PYRROLOTRIAZINE COMPOUNDS AS TAM INHIBITORS MERTK, MAP3K15, MAP3K5 TSHR 1014/4885CHRM1 3699/4885AKR1A1 2340/4885
US-20170152260-A1 STAT3 INHIBITOR STAT3, STAT1, STAT4 TSHR 1008/4885CHRM1 4828/4885AKR1A1 4070/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 TSHR 4521/4885CHRM1 4874/4885AKR1A1 664/4885
US-20240025849-A1 INHIBITORS OF NO PRODUCTION NOS2, NOS1, NOS3 TSHR 2975/4885CHRM1 620/4885AKR1A1 1059/4885
US-20230044826-A1 COMPANION DIAGNOSTIC TOOL FOR MUTANT P53 REACTIVATING COMPOUNDS TP53, TP53BP1, KRAS TSHR 3665/4885CHRM1 4728/4885AKR1A1 3611/4885
US-11807644-B2 Methods and compounds for restoring mutant p53 function TP53, TP53BP1, HRAS TSHR 3729/4885CHRM1 4670/4885AKR1A1 3044/4885
US-20170313691-A1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF RORyT RORC, RORA, RORB TSHR 258/4885CHRM1 662/4885AKR1A1 186/4885
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 TSHR 2184/4885CHRM1 783/4885AKR1A1 832/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 TSHR 505/4885CHRM1 146/4885AKR1A1 1743/4885
US-20230233692-A1 COMPOUNDS FOR TARGETED DEGRADATION OF RET RET, HRAS, RBX1 TSHR 1709/4885CHRM1 4808/4885AKR1A1 3549/4885
US-11673902-B2 Isoindolinone and indazole compounds for the degradation of EGFR EGFR, ERBB2, ERBB3 TSHR 2271/4885CHRM1 4761/4885AKR1A1 2050/4885
US-20230331705-A1 Fused Imidazole Derivatives as AHR Antagonists AHR, ARNT, AIPL1 TSHR 844/4885CHRM1 1877/4885AKR1A1 941/4885

“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.