SCHEMBL16232197

SCHEMBL16232197

CC(C)(C)CCN1CCCC(F)(F)C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.34
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 1/20 0.31
SLC6A1 P30531 1/20 0.31
CACNA1I Q9P0X4 1/20 0.30
MAOB P27338 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
SCHEMBL9944465 0.89 KCNH2 (0.38) KCNH2
SCHEMBL18378301 0.84 KCNH2 (0.33) KCNH2TP53MDM2SLC6A1CACNA1I
SCHEMBL16546650 0.81 HRH3 (0.30) HRH3
SCHEMBL16247242 0.80 KCNH2 (0.33) KCNH2
SCHEMBL6890187 0.79 OPRM1 (0.35) HRH3SLC6A4OPRM1
SCHEMBL13600627 0.78 HRH3 (0.33) KCNH2HRH3SLC6A4OPRM1
SCHEMBL22924117 0.77 ALDH1A1 (0.37) KCNH2HRH3SLC6A4OPRM1MAOB
SCHEMBL10202969 0.76 KCNH2 (0.43) KCNH2HRH3CACNA1I
SCHEMBL15925142 0.76 KCNH2 (0.37) KCNH2
SCHEMBL14131261 0.76 S1PR1 (0.41) HRH3SLC6A4OPRM1

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
US-RE49594-E1 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (US) 2023-08-01 US disclosed
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof RESEARCH TRIANGLE INSTITUTE (NC) 2021-03-23 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-9914702-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2018-03-13 US disclosed
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF RESEARCH TRIANGLE INSTITUTE 2017-06-15 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS BIONOMICS, LTD (AU) 2017-03-30 US disclosed
US-9493451-B2 Amine derivatives as potassium channel blockers BIONOMICS LIMITED (AU) 2016-11-15 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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 (7 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-20170088519-A1 AMINE DERIVATIVES AS POTASSIUM CHANNEL BLOCKERS KCNA3, KCNH3, KCNK3 KCNH2 4/4885TP53 4225/4885MDM2 4848/4885
US-20170166577-A1 APELIN RECEPTOR (APJ) AGONISTS AND USES THEREOF APLNR, AP1G1, APMAP KCNH2 3497/4885TP53 4373/4885MDM2 2771/4885
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 KCNH2 1712/4885TP53 654/4885MDM2 1871/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 KCNH2 1712/4885TP53 654/4885MDM2 1871/4885
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 KCNH2 4/4885TP53 4225/4885MDM2 4848/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 KCNH2 4/4885TP53 4225/4885MDM2 4848/4885
US-10954247-B2 Apelin receptor (APJ) agonists and uses thereof APLNR, AP1G1, APMAP KCNH2 3497/4885TP53 4373/4885MDM2 2771/4885

“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.