SCHEMBL9801701

SCHEMBL9801701

CCC1CN(CC)CCO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
DRD3 P35462 5/20 0.44
CCR2 P41597 1/20 0.38
KCNH2 Q12809 1/20 0.38
DRD4 P21917 12/20 0.37
PDK1 Q15118 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL13887674 1.00 HRH3 (0.46) HRH3DRD3CCR2KCNH2DRD4
Bromide SCHEMBL19439574 0.98 HRH3 (0.44) HRH3DRD3CCR2KCNH2DRD4
SCHEMBL9935153 0.87 HRH3 (0.46) HRH3DRD3CCR2KCNH2DRD4
SCHEMBL9935981 0.87 HRH3 (0.46) HRH3DRD3CCR2KCNH2DRD4
SCHEMBL20744158 0.84 HRH3 (0.39) HRH3DRD3CCR2KCNH2DRD4
SCHEMBL25565642 0.83 DRD3 (0.51) DRD3DRD4DRD2
SCHEMBL25565643 0.83 DRD3 (0.51) DRD3DRD4DRD2
SCHEMBL771772 0.83 DRD4 (0.35) HRH3DRD3DRD4PDK1DRD2
SCHEMBL26510904 0.83 DRD4 (0.35) HRH3DRD3DRD4PDK1DRD2
SCHEMBL9801156 0.83 DRD3 (0.51) DRD3DRD4DRD2

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-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
EP-2384457-B1 COATING COMPOSITIONS MERCK PATENT GMBH (DE) 2022-07-06 EP disclosed
US-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-07 US disclosed
US-20200313240-A1 ELECTROLYTE ADDITIVE, ELECTROLYTE AND LITHIUM ION SECONDARY BATTERY CONTAINING THE SAME MURATA MANUFACTURING CO., LTD. (JP) 2020-10-01 US disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-20100160424-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010055406-A2 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2010-05-20 WO disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals TIBOTEC BVBA (BE) 2007-10-11 US disclosed
US-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 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 (5 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-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS RIPK3, RIPK1, RIPK2 HRH3 1780/4885DRD3 2882/4885CCR2 2702/4885
US-20100160424-A1 RENIN INHIBITORS ACE, REN, DNPEP HRH3 1112/4885DRD3 2878/4885CCR2 4602/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 HRH3 576/4885DRD3 2394/4885CCR2 138/4885
US-20070238727-A1 5-Substituted 1-Phenyl-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones and Analogs as Anti-Virals NR5A2, NR5A1, NR4A1 HRH3 122/4885DRD3 479/4885CCR2 230/4885
US-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 HRH3 3884/4885DRD3 3367/4885CCR2 4099/4885

“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.