SCHEMBL795850

SCHEMBL795850

Cc1ccnc2c1CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
NOS3 P29474 4/20 0.39
NOS2 P35228 4/20 0.39
NOS1 P29475 2/20 0.39
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
BCHE P06276 4/20 0.35
ACHE P22303 4/20 0.35
GRIN1 Q05586 4/20 0.35
GRIN2A Q12879 4/20 0.35
DRD1 P21728 1/20 0.35
KDM4E B2RXH2 1/20 0.34
DRD4 P21917 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL795349 0.95 NOS3 (0.44) GRM4NOS3NOS2NOS1CCR1
SCHEMBL24283716 0.93 NOS3 (0.42) GRM4NOS3NOS2NOS1CCR1
SCHEMBL19005861 0.93 NOS3 (0.42) GRM4NOS3NOS2NOS1CCR1
SCHEMBL25771760 0.93 NOS3 (0.42) GRM4NOS3NOS2NOS1CCR1
SCHEMBL27549216 0.90 NOS3 (0.40) GRM4NOS3NOS2NOS1CCR1
SCHEMBL2087650 0.76 NOS3 (0.44) GRM4NOS3NOS2NOS1BCHE
SCHEMBL31005090 0.76 NOS3 (0.44) GRM4NOS3NOS2NOS1BCHE
SCHEMBL30406836 0.76 GRM4 (0.39) GRM4NOS3NOS2NOS1BCHE
SCHEMBL30406511 0.76 GRM4 (0.39) GRM4NOS3NOS2NOS1BCHE
SCHEMBL24339083 0.76 GRM4 (0.39) GRM4NOS3NOS2NOS1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF SHANGHAI HENGRUI PHARMACEUTICAL CO., LTD. (CN) 2023-05-11 US disclosed
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 JANSSEN PHARMACEUTICA NV (BE) 2023-02-21 US disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2022115301-A1 MODIFIED ISOINDOLINONES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-02 WO disclosed
WO-2021239745-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed
EP-3782991-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS The Scripps Research Institute (US) 2021-02-24 EP disclosed
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 JANSSEN PHARMACEUTICA NV (BE) 2020-04-23 US disclosed
EP-3181133-B1 NOVEL FUSED PYRIDINE COMPOUNDS AS CASEIN KINASE INHIBITORS PFIZER (US) 2019-07-24 EP disclosed
US-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE CORPORATION 2019-07-11 US disclosed
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN-CILAG (FR) 2010-08-26 US disclosed
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 JANSSEN-CILAG (FR) 2010-08-26 US disclosed
EP-1809622-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-07-21 EP disclosed
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICAL N.V. (BE) 2010-07-01 US disclosed
EP-1999126-B1 CYCLIC-ALKYLAMINEDERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2010-06-09 EP disclosed
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-14 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-08 US disclosed
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN-CILAG (FR) 2009-06-11 US disclosed
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-14 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-20190209537-A1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS PIM2, PIM1, PIM3 GRM4 4463/4885NOS3 3634/4885NOS2 3324/4885
US-11583524-B2 Inhibitors of the interaction between MDM2 and P53 TP53, MDM2, TP53BP1 GRM4 4624/4885NOS3 2278/4885NOS2 2697/4885
US-20200121667-A1 Inhibitors Of The Interaction Between MDM2 And P53 TP53, MDM2, TP53BP1 GRM4 4590/4885NOS3 2511/4885NOS2 2862/4885
US-20100216770-A1 Inhibitors of the Interaction Between MDM2 and P53 TP53, MDM2, TP53BP1 GRM4 4529/4885NOS3 2493/4885NOS2 2855/4885
US-20230148417-A1 FUSED BICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF WEE2, AKT1S1, WEE1 GRM4 3781/4885NOS3 1667/4885NOS2 1495/4885
US-20090149493-A1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 GRM4 4788/4885NOS3 2830/4885NOS2 2630/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 GRM4 2625/4885NOS3 1014/4885NOS2 755/4885
US-20100010001-A1 NOVEL MODULATORS OF SPHINGOSINE PHOSPHATE RECEPTORS S1PR1, S1PR3, S1PR4 GRM4 229/4885NOS3 4027/4885NOS2 4546/4885
US-20080039472-A1 Inhibitors of the Interaction Between Mdm2 and P53 TP53, MDM2, TP53BP1 GRM4 4664/4885NOS3 2353/4885NOS2 2767/4885
US-20090253691-A1 TRISUBSTITUTED 1,2,4-TRIAZOLES CHRNA1, CHRNA5, CHRNA3 GRM4 214/4885NOS3 1307/4885NOS2 1821/4885
US-20100168163-A1 CYCLIC-ALKYLAMINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 TP53, MDM2, TP53BP1 GRM4 4439/4885NOS3 1503/4885NOS2 1791/4885

“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.