SCHEMBL4737676

SCHEMBL4737676

CC(C)C1Cc2ccccc2CN1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
KCNH2 Q12809 1/20 0.36
ACE P12821 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
NOTUM Q6P988 1/20 0.33

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
SCHEMBL13247993 1.00 MEN1 (0.36) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL17658844 0.82 DRD2 (0.42) HRH3ACEOPRM1OPRK1MAOA
SCHEMBL26504659 0.82 HRH3 (0.34) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL19440241 0.81 ACE (0.38) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL13267985 0.79 NOTUM (0.39) MEN1KMT2AHRH3KCNH2OPRM1
SCHEMBL13416638 0.79 MAOA (0.39) MEN1KMT2AACEOPRM1OPRK1
SCHEMBL13711153 0.79 NOTUM (0.39) MEN1KMT2AHRH3KCNH2OPRM1
SCHEMBL12650870 0.79 MAOA (0.39) MEN1KMT2AACEOPRM1OPRK1
SCHEMBL23034795 0.75 HRH3 (0.37) MEN1KMT2AHRH3KCNH2ACE
SCHEMBL21323509 0.75 MEN1 (0.34) MEN1KMT2AHRH3KCNH2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
US-11786599-B2 Releasable conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2023-10-17 US disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-11357828-B2 Releasable GLP-1 conjugates QUIAPEG PHARMACEUTICALS AB (SE) 2022-06-14 US disclosed
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES FISH & RICHARDSON PC 2022-04-21 US disclosed
US-20220009903-A1 ANTI-VIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-01-13 US disclosed
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 US disclosed
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2011-05-19 US disclosed
US-7879891-B2 such as (S)-Carbazole-9-carboxylic acid 1-(3a-fluoromethyl-5-oxo-3a,5,6,6a-tetrahydro-furo[3,2-d]oxazol-2-yl)-2-methyl-propyl ester, used for the treatment of diseases related to inflammatory or degenerative conditions VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
US-7595299-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-29 US disclosed
US-7592316-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2009-09-22 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 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 (11 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-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MEN1 4495/4885KMT2A 3449/4885HRH3 3847/4885
US-20110117057-A1 NOVEL PEPTIDES AS NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS HPN, TMPRSS15, VIP MEN1 4495/4885KMT2A 3449/4885HRH3 3847/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 MEN1 2842/4885KMT2A 3049/4885HRH3 4229/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 MEN1 4405/4885KMT2A 3837/4885HRH3 2523/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 MEN1 2694/4885KMT2A 4144/4885HRH3 2944/4885
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS CASP1, CASP5, CASP2 MEN1 2842/4885KMT2A 3049/4885HRH3 4229/4885
US-20220009903-A1 ANTI-VIRAL COMPOUNDS EIF2AK2, ZC3HAV1, HAVCR2 MEN1 1494/4885KMT2A 4121/4885HRH3 3452/4885
US-11357828-B2 Releasable GLP-1 conjugates GLP1R, GIPR, IAPP MEN1 279/4885KMT2A 4392/4885HRH3 2353/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP MEN1 4495/4885KMT2A 3449/4885HRH3 3847/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 MEN1 2694/4885KMT2A 4144/4885HRH3 2944/4885
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES GLP1R, GIPR, IAPP MEN1 279/4885KMT2A 4392/4885HRH3 2353/4885

“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.