SCHEMBL4407459

SCHEMBL4407459

CC(C)Cc1nnn(C)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.36
HRH4 Q9H3N8 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
RECQL P46063 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
TRPV1 Q8NER1 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
SCHEMBL12868733 0.80 POLB (0.40) POLBTSHRKDM4EALDH1A1RECQL
SCHEMBL23033192 0.79 POLB (0.34) POLBTSHR
SCHEMBL4408207 0.76
SCHEMBL4405676 0.76 GRIK1 (0.31)
SCHEMBL4409302 0.76
SCHEMBL4405850 0.76
SCHEMBL4407372 0.75 RECQL (0.45) TSHRALDH1A1RECQLCNR1CNR2
SCHEMBL4407234 0.74 TRPV1 (0.38) RECQLCNR1CNR2TRPV1
SCHEMBL4408960 0.74 TRPV1 (0.53) CNR1CNR2TRPV1
SCHEMBL4407261 0.72 KMT2A (0.37) TSHRALDH1A1RECQLCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2023-10-19 US disclosed
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS INC (US) 2020-06-11 US disclosed
US-10556904-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-02-11 US disclosed
US-10544141-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2020-01-28 US disclosed
US-10337049-B2 Universal methylation profiling methods THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-07-02 US disclosed
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20190125741-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2019-05-02 US disclosed
US-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-03-14 US disclosed
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections NOVIRA THERAPEUTICS, INC. 2019-01-31 US disclosed
US-10189835-B2 Derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-01-29 US disclosed
US-7652023-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers MERCK & CO., INC. 2007-03-15 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 POLB 380/4885TSHR 2250/4885HRH4 3409/4885
US-20190077800-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20190031653-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-10189835-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20200181142-A1 Derivatives And Methods Of Treating Hepatitis B Infections HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 POLB 380/4885TSHR 2250/4885HRH4 3409/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 POLB 380/4885TSHR 2250/4885HRH4 3409/4885
US-10337049-B2 Universal methylation profiling methods DNMT1, DNMT3A, DNMT3B POLB 49/4885TSHR 3876/4885HRH4 3184/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES POLB 467/4885TSHR 4311/4885HRH4 1712/4885
US-20070060584-A1 Biaryl substituted thiazoles, oxazoles and imidazoles as sodium channel blockers TRPV1, TRPA1, TRPV3 POLB 4727/4885TSHR 2174/4885HRH4 390/4885
US-10556904-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20190125741-A1 6-(5-MEMBERED HETEROARYL)ISOQUINOLIN-3-YL-(5-MEMBERED HETEROARYL) CARBOXAMIDES AND PREPARATION AND USE THEREOF DYRK1A, WNT3, DYRK3 POLB 2361/4885TSHR 3125/4885HRH4 1509/4885
US-10544141-B2 Derivatives and methods of treating hepatitis B infections HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20190194191-A1 DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, PYGL, HCCS POLB 432/4885TSHR 3754/4885HRH4 2730/4885
US-20230330254-A1 ANTI-GLP1R ANTIBODY-TETHERED DRUG CONJUGATES COMPRISING GLP1 PEPTIDOMIMETICS AND USES THEREOF GLP1R, GIPR, GCGR POLB 4882/4885TSHR 127/4885HRH4 885/4885

“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.