SCHEMBL2979513

SCHEMBL2979513

Cc1oc(-c2ccccc2)nc1CCNCCc1nc(-c2ccccc2)oc1C

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.59
KDM4E B2RXH2 1/20 0.59
PPARG P37231 11/20 0.54
PPARA Q07869 10/20 0.54
HPGD P15428 1/20 0.51
PDE10A Q9Y233 1/20 0.51
PPARD Q03181 1/20 0.50
LMNA P02545 1/20 0.49
FFAR1 O14842 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL10480743 0.89 HRH3 (0.58) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL27642186 0.89 KDM4E (0.55) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL10058004 0.83 HRH3 (0.62) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL6830199 0.83 HRH3 (0.58) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL4389491 0.82 HRH3 (0.61) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL979145 0.82 KDM4E (0.65) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL10480770 0.82 HRH3 (0.61) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL5537439 0.82 HRH3 (0.61) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL1436970 0.82 HRH3 (0.61) HRH3KDM4EPPARGPPARAHPGD
SCHEMBL5738511 0.81 KDM4E (0.60) HRH3KDM4EPPARGPPARAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772264-B2 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. (US) 2010-08-10 US disclosed
EP-1888571-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP disclosed
US-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor HOFFMANN-LA ROCHE INC. 2006-09-28 US disclosed
WO-2006100181-A2 NEW SALT AND POLYMORPHS OF A DPP-IV INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2006-09-28 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 (1 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-20060217428-A1 Salt and polymorphs of a DPPIV inhibitor DPP4, DPP3, DPP9 HRH3 3570/4885KDM4E 1304/4885PPARG 1196/4885

“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.