SCHEMBL2669656

SCHEMBL2669656

CC(C)C1CCc2cccnc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 10/20 0.40
KCNH2 Q12809 10/20 0.40
CXCR4 P61073 3/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
DRD2 P14416 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TRPM8 Q7Z2W7 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
SCHEMBL25515629 1.00 OPRL1 (0.40) OPRL1KCNH2CXCR4KDM4EHTR2A
SCHEMBL1698240 0.90 CXCR4 (0.45) KCNH2CXCR4
SCHEMBL18792200 0.86 CXCR4 (0.40) OPRL1KCNH2CXCR4KDM4EHTR2A
SCHEMBL1698223 0.83 OPRL1 (0.40) OPRL1KCNH2CXCR4KDM4EDRD2
SCHEMBL1698218 0.82 CXCR4 (0.37) OPRL1KCNH2CXCR4KDM4EHTR2A
SCHEMBL1698228 0.81 OPRL1 (0.40) OPRL1KCNH2CXCR4KDM4EDRD2
SCHEMBL1698219 0.81 DRD2 (0.38) OPRL1KCNH2CXCR4KDM4EDRD2
SCHEMBL19044029 0.78 OPRL1 (0.40) OPRL1KCNH2CXCR4KDM4ETRPM8
SCHEMBL1698199 0.78 OPRL1 (0.36) OPRL1KCNH2CXCR4DRD2
SCHEMBL19131344 0.77 KDM4E (0.38) KDM4EHTR2AHTR2CHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066399-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-07-20 US disclosed
US-20210139472-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-13 US disclosed
US-11001579-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-11 US disclosed
US-10738041-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2020-08-11 US disclosed
US-20190345151-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-11-14 US disclosed
US-10364239-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2019-07-30 US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 US disclosed
WO-2017068090-A1 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
WO-2017068089-A2 NOVEL FERROPORTIN INHIBITORS VIFOR (INTERNATIONAL) AG (CH) 2017-04-27 WO disclosed
US-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-07 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8362037-B2 2-aminopyridine analogs as glucokinase activators ARRAY BIOPHARMA, INC. (US) 2013-01-29 US disclosed
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA, INC. (US) 2012-11-01 US disclosed
US-8212045-B2 Pyridin-2-yl-amino-1, 2, 4-thiadiazole derivatives as glucokinase activators for the treatment of diabetes mellitus ARRAY BIOPHARMA, INC. (US) 2012-07-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus ARRAY BIOPHARMA INC. (US) 2010-08-12 US disclosed
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPPHARMA INC. (US) 2010-04-29 US disclosed
WO-2008118718-A2 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS ARRAY BIOPHARMA INC. (US) 2008-10-02 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-20190345151-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 OPRL1 2754/4885KCNH2 4249/4885CXCR4 2203/4885
US-20210139472-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 OPRL1 2754/4885KCNH2 4249/4885CXCR4 2203/4885
US-10738041-B2 Ferroportin inhibitors SLC40A1, HAMP, TFRC OPRL1 3497/4885KCNH2 4148/4885CXCR4 3358/4885
US-11066399-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 OPRL1 2671/4885KCNH2 4378/4885CXCR4 2211/4885
US-20120277242-A1 Pyridin-2YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK OPRL1 4841/4885KCNH2 2167/4885CXCR4 4303/4885
US-11001579-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 OPRL1 2671/4885KCNH2 4378/4885CXCR4 2211/4885
US-20100105659-A1 2-AMINOPYRIDINE ANALOGS AS GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 OPRL1 4677/4885KCNH2 982/4885CXCR4 4576/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRL1 72/4885KCNH2 565/4885CXCR4 987/4885
US-10364239-B2 Ferroportin inhibitors HAMP, SLC40A1, HMOX1 OPRL1 3175/4885KCNH2 4061/4885CXCR4 2830/4885
US-20140221373-A1 ARYLPYRAZOLE ETHERS AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R OPRL1 965/4885KCNH2 1074/4885CXCR4 1220/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 OPRL1 2685/4885KCNH2 2597/4885CXCR4 2950/4885
US-20100204240-A1 Pyridin-2-YL-Amino-1, 2, 4-Thiadiazole Derivatives as Glucokinase Activators for the Treatment of Diabetes Mellitus PDXK, GCKR, GCK OPRL1 4834/4885KCNH2 2068/4885CXCR4 4331/4885

“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.