SCHEMBL1111557

SCHEMBL1111557

COCC(Cc1nc2[nH]c(=O)[nH]c(=O)c2[nH]1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ADORA2B P29275 1/20 0.35
XDH P47989 3/20 0.33
ENPP1 P22413 1/20 0.32
ACHE P22303 1/20 0.30
GDA Q9Y2T3 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
SCHEMBL60159 0.79 TSHR (0.46) MAPTADORA2BXDHENPP1ACHE
SCHEMBL7326964 0.77 MAPT (0.42) MAPTADORA2BXDHENPP1ACHE
SCHEMBL4372319 0.76 MAPT (0.44) MAPTADORA2BXDHENPP1ACHE
SCHEMBL380136 0.71 MAPT (0.48) MAPTADORA2BXDHACHEGDA
SCHEMBL541696 0.71 MAPT (0.42) MAPTADORA2BXDHACHEGDA
SCHEMBL9386889 0.70 MAPT (0.44) MAPTADORA2BXDHENPP1ACHE
SCHEMBL1150739 0.68 XDH (0.47) MAPTADORA2BXDHACHEGDA
SCHEMBL3399435 0.68 MAPT (0.48) MAPTADORA2BXDHENPP1ACHE
SCHEMBL31438586 0.68 MAPT (0.48) MAPTADORA2BXDHENPP1ACHE
SCHEMBL5515639 0.68 ADORA2B (0.49) MAPTADORA2BXDHENPP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190373-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF PATHOLOGICAL CARDIAC REMODELING AND HEART FAILURE UNIVERSITY OF ROCHESTER (US) 2011-08-04 US disclosed
EP-2279009-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF PATHOLOGICAL CARDIAC REMODELING AND HEART FAILURE University Of Rochester (US) 2011-02-02 EP disclosed
WO-2009137465-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF PATHOLOGICAL CARDIAC REMODELING AND HEART FAILURE UNIVERSITY OF ROCHESTER (US) 2009-11-12 WO disclosed
US-6812239-B2 DETERMINING IF COMPOUND INHIBITS PHOSPHODIESTERASE 1C (PDE1C) IN PANCREATIC ISLET BETA-CELLS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2004-11-02 US disclosed
US-20020160939-A1 Method of identification of inhibitors of PDE1C and methods of treatment of diabetes MICHAELI TAMAR H (US) 2002-10-31 US disclosed
US-6417208-B1 PANCREATIC ISLET BETA-CELL CULTURE AND DETECTION OF INHIBITOR OF PHOSPHODIESTERASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY 2002-07-09 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 (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-20110190373-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OR PREVENTION OF PATHOLOGICAL CARDIAC REMODELING AND HEART FAILURE TNNI3, TNNT2, TNNC1 MAPT 4308/4885ADORA2B 2021/4885XDH 1172/4885

“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.