SCHEMBL866725

SCHEMBL866725

CCCN(CC)CCC(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.31
HTR2A P28223 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
SCHEMBL841870 0.92 TSHR (0.33) KCNH2
SCHEMBL841648 0.89 TSHR (0.32)
SCHEMBL841608 0.89 TSHR (0.32)
SCHEMBL841265 0.86 TSHR (0.33)
SCHEMBL10225595 0.85 KCNH2 (0.33) KCNH2
SCHEMBL842083 0.85 KCNH2 (0.42) KCNH2
SCHEMBL840929 0.83 KCNH2 (0.47) KCNH2
SCHEMBL15383389 0.83 SIGMAR1 (0.38) KCNH2
SCHEMBL23192225 0.82 KCNH2 (0.33) KCNH2
SCHEMBL15383397 0.81 KCNH2 (0.38) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11505535-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2022-11-22 US disclosed
EP-3662911-A1 COMBINATION OF AZACITIDINE AND PRACINOSTAT TO TREAT MYELODYSPLASTIC SYNDROME (MDS) MEI Pharma, Inc. (US) 2020-06-10 EP disclosed
EP-2914254-B1 COMBINATION THERAPIES TO TREAT CHEMORESISTANT CANCERS MEI PHARMA INC (US) 2020-01-08 EP disclosed
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2016-02-25 US disclosed
US-9266882-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-02-23 US disclosed
US-9217015-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL INC. (US) 2015-12-22 US disclosed
US-20150258068-A1 COMBINATION THERAPIES MEI PHARMA, INC. 2015-09-17 US disclosed
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HELSINN HEALTHCARE SA (CH) 2015-02-05 US disclosed
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2013-11-14 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS S*BIO PTE LTD. (SG) 2010-04-29 US disclosed
US-7666880-B2 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2010-02-23 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders S*BIO PTE LTD. (SG) 2008-04-10 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 (8 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-11505535-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 KCNH2 1428/4885HTR2A 752/4885
US-20160052972-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS KCNH2 3263/4885HTR2A 4506/4885
US-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 KCNH2 3688/4885HTR2A 2592/4885
US-20080085896-A1 Hydroxamate compounds which are inhibitors of histone deacetylase; may be useful as medicaments for treatment of proliferative disorders as well as other diseases involving, relating to, or associated with enzymes having histone deacetylase activities such as neurodegenerative, cardiovascular disorders HDAC1, HDAC5, HDAC11 KCNH2 3929/4885HTR2A 1705/4885
US-20100105721-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 KCNH2 3292/4885HTR2A 1769/4885
US-20130303438-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, ICOS KCNH2 3263/4885HTR2A 4506/4885
US-20150258068-A1 COMBINATION THERAPIES HDAC1, HDAC8, HDAC5 KCNH2 4347/4885HTR2A 3106/4885
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 KCNH2 3292/4885HTR2A 1769/4885

“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.