SCHEMBL498069

SCHEMBL498069

CC(C)c1nnn(-c2c(Cl)cccc2Cl)c1CCl

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.45
GABRB3 P28472 10/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
CCNK O75909 1/20 0.32
CCND3 P30281 1/20 0.32
GSK3B P49841 1/20 0.32
CDK7 P50613 1/20 0.32
CDK9 P50750 1/20 0.32
CCNH P51946 1/20 0.32
CDK6 Q00534 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
RORC P51449 1/20 0.32
P2RX7 Q99572 2/20 0.30
TRPA1 O75762 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
SCHEMBL1096680 0.90 NR1H4 (0.45) NR1H4GABRB3GABRA2GABRB2CCNK
SCHEMBL12188553 0.88 NR1H4 (0.45) NR1H4GABRB3GABRA2GABRB2CCNK
SCHEMBL27896017 0.87 NR1H4 (0.43) NR1H4GABRB3GABRA2GABRB2CCNK
SCHEMBL498227 0.87 NR1H4 (0.47) NR1H4GABRB3GABRA2GABRB2CCNK
SCHEMBL12878994 0.80 NR1H4 (0.39) NR1H4GABRB3GABRA2GABRB2CCNK
SCHEMBL498141 0.79 NR1H4 (0.49) NR1H4CCNKCCND3GSK3BCDK7
SCHEMBL498805 0.77 NR1H4 (0.56) NR1H4CCNKCCND3GSK3BCDK7
SCHEMBL27896015 0.76 NR1H4 (0.39) NR1H4CCNKCCND3GSK3BCDK7
SCHEMBL12168764 0.76 NR1H4 (0.37) NR1H4CCNKCCND3GSK3BCDK7
SCHEMBL2130842 0.75 NR1H4 (0.46) NR1H4GABRB3CCNKCCND3GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256468-B1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO LTD (CN) 2020-04-08 EP disclosed
CN-105884758-B Tricyclic compounds and their use in medicine 广东东阳光药业有限公司 2019-12-10 CN disclosed
US-10183917-B2 Tricyclic compounds and uses thereof in medicine SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-01-22 US disclosed
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-01 US disclosed
CN-105884758-A Tricyclic compound and application thereof to drugs 广东东阳光药业有限公司 2016-08-24 CN disclosed
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 US disclosed
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 US disclosed
EP-2467366-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-11-12 EP disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 US disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 US disclosed
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
WO-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 WO disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 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 (4 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-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885GABRB3 423/4885GABRA2 637/4885
US-20180030003-A1 TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE NR1H4, SLC10A1, SLC10A2 NR1H4 1/4885GABRB3 1208/4885GABRA2 1685/4885
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885GABRB3 448/4885GABRA2 1161/4885
US-10183917-B2 Tricyclic compounds and uses thereof in medicine NR1H4, SLC10A1, SLC10A2 NR1H4 1/4885GABRB3 1208/4885GABRA2 1685/4885

“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.