SCHEMBL788564

SCHEMBL788564

CC(C)C1CNCC1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.44
CCR5 P51681 1/20 0.35
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.32
SLC1A2 P43004 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 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
SCHEMBL26452946 1.00 GBA1 (0.44) GBA1CCR5CHRNB2CHRNB4CHRNA3
SCHEMBL12414623 0.82
SCHEMBL25744992 0.82
SCHEMBL18309930 0.82
SCHEMBL14626990 0.82
SCHEMBL19122720 0.82
SCHEMBL804927 0.82
SCHEMBL24213029 0.80
SCHEMBL21725556 0.80
SCHEMBL17037474 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-20230226186-A1 RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-20 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
US-11690915-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-07-04 US disclosed
US-20230183489-A1 COLORING COMPOSITION, INK JET RECORDING METHOD, IMAGE RECORDED MATERIAL, AND COLORING AGENT COMPOUND FUJIFILM CORPORATION (JP) 2023-06-15 US disclosed
US-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF ALCON INC. (CH) 2023-01-05 US disclosed
EP-3679039-B1 TYROSINE ANALOGUES DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARM SPA (IT) 2021-06-16 EP disclosed
WO-2021011868-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
WO-2021011871-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-01-21 WO disclosed
US-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING THE GENERAL HOSPITAL CORPORATION 2021-01-21 US disclosed
US-9296782-B2 Inhibitors of hepatitis C virus GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2016-03-03 US disclosed
US-9220748-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-12-29 US disclosed
US-9139568-B2 Heterocyclic carboxamides as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-22 US disclosed
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2015-06-25 US disclosed
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-10-16 US disclosed
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2014-07-10 US disclosed
US-8648037-B2 Macrocyclic proline derived HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2014-02-11 US disclosed
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD PHARMASSET LLC 2014-01-16 US disclosed
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-22 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-20210015948-A1 MANGANESE-BASED CHELATE CONJUGATES FOR MOLECULAR MR IMAGING MPI, MAG, MNS1 GBA1 881/4885CCR5 3198/4885CHRNB2 1921/4885
US-20120070416-A1 Macrocyclic Proline Derived HCV Serine Protease Inhibitors PREP, PRSS1, PEPD GBA1 710/4885CCR5 634/4885CHRNB2 4885/4885
US-20160058763-A1 NOVEL HETEROCYCLIC CARBOXAMIDES AS MODULATORS OF KINASE ACTIVITY MAP3K19, MAP3K15, MAP3K12 GBA1 1745/4885CCR5 4212/4885CHRNB2 4089/4885
US-20150175655-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 GBA1 412/4885CCR5 167/4885CHRNB2 4850/4885
US-20140309245-A1 Novel Heterocyclic Carboxamides as Modulators of Kinase Activity MAP3K19, MAP3K15, MAP3K12 GBA1 1783/4885CCR5 4028/4885CHRNB2 4202/4885
US-20230002404-A1 HETEROBICYCLIC CARBOXAMIDES AND USES THEREOF UACA, PHKG2, CCAR2 GBA1 955/4885CCR5 1824/4885CHRNB2 3239/4885
US-11690915-B2 Ras inhibitors KRAS, NRAS, HRAS GBA1 2928/4885CCR5 3769/4885CHRNB2 4838/4885
US-20230226186-A1 RAS INHIBITORS KRAS, NRAS, HRAS GBA1 2928/4885CCR5 3769/4885CHRNB2 4838/4885
US-20140194350-A1 MACROCYCLIC PROLINE DERIVED HCV SERINE PROTEASE INHIBITORS PREP, PRSS1, PEPD GBA1 710/4885CCR5 634/4885CHRNB2 4885/4885
US-20140017198-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, SLC10A1, GOT1 GBA1 388/4885CCR5 241/4885CHRNB2 4833/4885

“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.