SCHEMBL4737669

SCHEMBL4737669

CC(C)C1c2ccccc2CN1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
HTR2A P28223 2/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
HRH1 P35367 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL2706549 1.00 PRCP (0.40) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL19121805 0.83 SLC6A2 (0.34) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL4737687 0.82 PRCP (0.45) PRCPESR1ESR2ACE
SCHEMBL14985698 0.81 DRD4 (0.45) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL12921565 0.81 DRD4 (0.45) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL1615414 0.79 OPRM1 (0.42) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL13464973 0.79 OPRM1 (0.42) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL18965094 0.78 HTR2A (0.38) PRCPOPRM1OPRK1HTR2ASLC6A2
SCHEMBL19122012 0.77 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL20055229 0.75 PRCP (0.43) PRCPOPRM1OPRK1HTR2AACE

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 35 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
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES FISH & RICHARDSON PC 2022-04-21 US disclosed
US-20210170045-A1 RELEASABLE ANTIBODY CONJUGATES FISH & RICHARDSON PC 2021-06-10 US disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-9060971-B2 Combination pharmaceutical agents as inhibitors of HCV replication ENANTA PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-8168798-B2 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-01 US disclosed
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION ENANTA PHARMACEUTICALS, INC. 2011-09-08 US disclosed
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-09 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
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed
US-20070155718-A1 Caspase inhibitor prodrugs VERTEX PHARMACEUTICALS INCORPORATED 2007-07-05 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 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 (10 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PRCP 599/4885OPRM1 2511/4885OPRK1 2034/4885
US-20110217261-A1 COMBINATION PHARMACEUTICAL AGENTS AS INHIBITORS OF HCV REPLICATION HAVCR2, EIF2AK2, MAVS PRCP 40/4885OPRM1 2221/4885OPRK1 2433/4885
US-20070155718-A1 Caspase inhibitor prodrugs CASP1, CASP5, CASP2 PRCP 213/4885OPRM1 4059/4885OPRK1 3954/4885
US-20210170045-A1 RELEASABLE ANTIBODY CONJUGATES BCR, CD47, RNASE1 PRCP 107/4885OPRM1 4281/4885OPRK1 4546/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 PRCP 898/4885OPRM1 857/4885OPRK1 636/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 PRCP 230/4885OPRM1 2601/4885OPRK1 2108/4885
US-20110137037-A1 CASPASE INHIBITOR PRODRUGS CASP1, CASP5, CASP2 PRCP 213/4885OPRM1 4059/4885OPRK1 3954/4885
US-11786599-B2 Releasable conjugates GUSB, ABCB11, UGT2B7 PRCP 230/4885OPRM1 2601/4885OPRK1 2108/4885
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES GLP1R, GIPR, IAPP PRCP 189/4885OPRM1 2934/4885OPRK1 2388/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 PRCP 898/4885OPRM1 857/4885OPRK1 636/4885

“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.