SCHEMBL3381746

SCHEMBL3381746

OC1CCN(N2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GPR119 Q8TDV5 1/20 0.40
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL16321213 0.87 GPR119 (0.48) TSHRGPR119
SCHEMBL1862926 0.83 CA12 (0.39) TSHRGPR119
SCHEMBL1231703 0.83 CA12 (0.39) TSHRGPR119
SCHEMBL2378473 0.79 CA12 (0.45) TSHRGPR119HPGD
SCHEMBL27638817 0.79 SLC6A1 (0.33) TSHR
SCHEMBL14937974 0.76 CA12 (0.47) TSHRHPGDHRH3
SCHEMBL3377039 0.76 CA12 (0.47) TSHRHPGDHRH3
SCHEMBL28320475 0.74 PHGDH (0.39) TSHRGPR119HPGDHRH3ACHE
SCHEMBL726729 0.73 MGLL (0.40) TSHRHRH3
SCHEMBL6926105 0.73 MGLL (0.40) TSHRHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421761-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-09-24 US disclosed
EP-2672967-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-10-17 EP disclosed
EP-2861591-B1 SYNTHESIS OF PYRROLO[2,3-B]PYRIDINES PLEXXIKON INC (US) 2018-07-11 EP disclosed
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 US disclosed
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2018-04-12 US disclosed
US-9873700-B2 Compounds for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-01-23 US disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 US disclosed
EP-3010922-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2016-04-27 EP disclosed
WO-2014202458-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2014-12-24 WO disclosed
US-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-12-04 US disclosed
US-8877745-B2 CCR2 receptor antagonists, method for producing the same, and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 US disclosed
US-8835440-B2 Cyclic pyrimidin-4-carboxamides as CCR2 receptor antagonists for treatment of inflammation, asthma and COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-16 US disclosed
EP-2718283-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2014-04-16 EP disclosed
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-05 US disclosed
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-16 US disclosed
WO-2012169649-A1 INDAZOLE- AND PYRROLOPYRIDINE-DERIVATIVE AND PHARMACEUTICAL USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-12-13 WO disclosed
WO-2010049678-A2 TREATMENT OF ENERGY UTILIZATION DISEASES SUMMIT CORPORATION PLC (GB) 2010-05-06 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 (6 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-20140357612-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TSHR 3037/4885GPR119 2069/4885HPGD 2363/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA TSHR 2968/4885GPR119 105/4885HPGD 413/4885
US-10421761-B2 Compounds for kinase modulation, and indications therefor MAP3K20, MAP3K13, MAP3K8 TSHR 3037/4885GPR119 2069/4885HPGD 2363/4885
US-20130123241-A1 NOVEL CCR2 RECEPTOR ANTAGONISTS, METHOD FOR PRODUCING THE SAME, AND USE THEREOF AS MEDICAMENTS CCR2, CXCR2, CYSLTR2 TSHR 1608/4885GPR119 419/4885HPGD 138/4885
US-20180099975-A1 COMPOUNDS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 TSHR 3037/4885GPR119 2069/4885HPGD 2363/4885
US-20130324517-A1 CYCLIC PYRIMIDIN-4-CARBOXAMIDES AS CCR2 RECEPTOR ANTAGONISTS FOR TREATMENT OF INFLAMMATION, ASTHMA AND COPD CCR2, CCR5, CCR1 TSHR 975/4885GPR119 396/4885HPGD 690/4885

“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.