SCHEMBL5377669

SCHEMBL5377669

CC(C)n1ccc2cc(C(=O)NN3CCC(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.49
F2 P00734 1/20 0.48
SLC6A2 P23975 3/20 0.46
SLC6A4 P31645 3/20 0.46
EPHX2 P34913 1/20 0.46
PPARG P37231 1/20 0.46
ACHE P22303 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5732386 0.92 MAPK11 (0.48) HDAC6SLC6A2SLC6A4ACHEKCNH2
SCHEMBL1063730 0.85 MGLL (0.58) F2KCNH2HRH3
SCHEMBL5377733 0.79 F2 (0.54) HDAC6F2SLC6A2SLC6A4ACHE
SCHEMBL5733936 0.79 HDAC6 (0.52) HDAC6F2KCNH2HRH3POLB
SCHEMBL27700476 0.77 MGLL (0.56) F2KCNH2HRH3
SCHEMBL27700475 0.77 MGLL (0.56) F2KCNH2HRH3
SCHEMBL7449374 0.77 CCR3 (0.60) SLC6A2SLC6A4
SCHEMBL7076381 0.77 SIGMAR1 (0.48) HDAC6SLC6A2SLC6A4ACHEKCNH2
SCHEMBL27700479 0.76 MGLL (0.55) F2KCNH2HRH3
SCHEMBL5374680 0.76 ACHE (0.56) SLC6A2SLC6A4ACHE

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-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 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 (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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 HDAC6 993/4885F2 2427/4885SLC6A2 583/4885

“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.