SCHEMBL8032037

SCHEMBL8032037

COc1ccnc2c1ccc1c(C)ccnc12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.69
CCR8 P51685 3/20 0.69
CCR5 P51681 2/20 0.69
L3MBTL1 Q9Y468 1/20 0.53
PSMD14 O00487 2/20 0.46
COPS5 Q92905 2/20 0.46
SLC40A1 Q9NP59 2/20 0.43
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
SRC P12931 1/20 0.40
TGFBR1 P36897 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39

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
SCHEMBL185654 0.90 CCR1 (0.50) CCR1CCR8CCR5SLC40A1PDGFRB
SCHEMBL17921313 0.83 MAPT (0.49) CCR1CCR8CCR5L3MBTL1SLC40A1
SCHEMBL182930 0.83 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL29563986 0.83 CCR1 (1.00) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL9605472 0.83 CCR1 (0.45) CCR1CCR8CCR5L3MBTL1SLC40A1
Hydrochloric Acid SCHEMBL4612883 0.82 SLC40A1 (0.47) CCR1CCR8CCR5SLC40A1PDGFRB
Water SCHEMBL23927104 0.81 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL4890980 0.81 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL6744043 0.81 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14
SCHEMBL31493927 0.81 CCR1 (0.95) CCR1CCR8CCR5L3MBTL1PSMD14

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ATHENEX, INC. (US) 2023-08-29 US disclosed
US-20230203072-A1 AIR-STABLE IMIDO ALKYLIDENE COMPLEXES AND USE THEREOF IN OLEFIN METATHESIS REACTIONS VERBIO SE (DE) 2023-06-29 US disclosed
US-20180201558-A1 PROCESS FOR PRODUCTION OF D-SORBITOL DSM IP ASSETS B.V. (NL) 2018-07-19 US disclosed
US-20180201959-A1 PRODUCTION OF D-SORBITOL BY HYDROGENATION DSM IP ASSETS B.V. (NL) 2018-07-19 US disclosed
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS HANGZHOU INNOGATE PHARMA CO., LTD. (CN) 2018-05-10 US disclosed
US-20180022708-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS GILEAD SCIENCES, INC. 2018-01-25 US disclosed
US-9789089-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2017-10-17 US disclosed
US-9771328-B2 Processes for preparing ASK1 inhibitors GILEAD SCIENCES, INC. (US) 2017-09-26 US disclosed
US-20170233350-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS GILEAD SCIENCES, INC. 2017-08-17 US disclosed
US-9586933-B2 Processes for preparing ASK1 inhibitors GILEAD SCIENCES, INC. (US) 2017-03-07 US disclosed
US-20160244430-A1 Processes for preparing ASK1 inhibitors GILEAD SCIENCES, INC. (US) 2016-08-25 US disclosed
US-20160067224-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-10 US disclosed
US-9220710-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-12-29 US disclosed
US-20150307538-A1 USE OF THERMALLY-TREATED SUPPORTED COBALT CATALYSTS COMPRISING A POLYCYCLIC AROMATIC STRUCTURE CONSISTING OF NITROGEN LIGANDS FOR HYROGENATING AROMATIC NITRO COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2015-10-29 US disclosed
US-20140221421-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
WO-2009108766-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER ' S DISEASE SCHERING CORPORATION (US) 2009-09-03 WO 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 (12 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-20230203072-A1 AIR-STABLE IMIDO ALKYLIDENE COMPLEXES AND USE THEREOF IN OLEFIN METATHESIS REACTIONS SOD1, ZRANB2, ZNF277 CCR1 1790/4885CCR8 1295/4885CCR5 3303/4885
US-20170233350-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS MAP3K1, MAP3K6, MAP3K7 CCR1 1767/4885CCR8 2109/4885CCR5 2102/4885
US-20180127418-A1 HETEROCYCLES USEFUL AS IDO AND TDO INHIBITORS IDO1, IDO2, TDO2 CCR1 1734/4885CCR8 1967/4885CCR5 1799/4885
US-20160067224-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CCR1 258/4885CCR8 690/4885CCR5 27/4885
US-20180201558-A1 PROCESS FOR PRODUCTION OF D-SORBITOL SORD, ALDOA, DCXR CCR1 4485/4885CCR8 4590/4885CCR5 4280/4885
US-20180022708-A1 PROCESSES FOR PREPARING ASK1 INHIBITORS MAP3K1, MAP3K6, MAP3K7 CCR1 1767/4885CCR8 2109/4885CCR5 2102/4885
US-20180201959-A1 PRODUCTION OF D-SORBITOL BY HYDROGENATION SORD, TREH, DCXR CCR1 4547/4885CCR8 4631/4885CCR5 4139/4885
US-20160244430-A1 Processes for preparing ASK1 inhibitors MAP3K1, MAP3K6, MAP3K7 CCR1 1767/4885CCR8 2109/4885CCR5 2102/4885
US-20150307538-A1 USE OF THERMALLY-TREATED SUPPORTED COBALT CATALYSTS COMPRISING A POLYCYCLIC AROMATIC STRUCTURE CONSISTING OF NITROGEN LIGANDS FOR HYROGENATING AROMATIC NITRO COMPOUNDS NUP188, NUP50, NUCB2 CCR1 1046/4885CCR8 1028/4885CCR5 989/4885
US-20140221421-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD CCR1 258/4885CCR8 690/4885CCR5 27/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CCR1 4808/4885CCR8 4851/4885CCR5 4183/4885
US-11739089-B2 Acetamido-phenyltetrazole derivatives and methods of using the same ABCB1, CYP3A5, CYP3A7 CCR1 3889/4885CCR8 3420/4885CCR5 3572/4885

“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.