SCHEMBL5374582

SCHEMBL5374582

NC(=O)c1ccc2[nH]cnc2c1N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
GRIN2B Q13224 1/20 0.44
PARP1 P09874 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
RPS6KB1 P23443 1/20 0.42
AKT1 P31749 1/20 0.42
TNF P01375 1/20 0.42
LMNA P02545 1/20 0.42
STAT3 P40763 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL5734216 0.83 GAA (0.44) GAAGRIN2BPARP1SMN1; SMN2MAPT
SCHEMBL5733944 0.74 KCNH2 (0.43) GAASMN1; SMN2MAPTHTTGFER
SCHEMBL5204359 0.74 SLC6A4 (0.63) GRIN2BF2PRSS1
SCHEMBL5733938 0.73 HDAC6 (0.42) GAAPARP1SMN1; SMN2MAPTHTT
SCHEMBL7134765 0.72 GRIN2B (0.53) GAAGRIN2BSMN1; SMN2MAPTHTT
SCHEMBL5377865 0.72 GRIN2B (0.48) GAAGRIN2BSMN1; SMN2MAPTHTT
SCHEMBL4812569 0.71 GRIN2D (0.67) GRIN2BMAPTMEN1KMT2A
SCHEMBL7078851 0.70 MEN1 (0.52) GAAGRIN2BSMN1; SMN2MAPTHTT
SCHEMBL7443112 0.70 MEN1 (0.52) GAAGRIN2BSMN1; SMN2MAPTHTT
SCHEMBL5383885 0.70 GPR84 (0.51) GAAGRIN2BSMN1; SMN2MAPTHTT

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 8 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
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 US disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 GAA 4362/4885GRIN2B 2075/4885PARP1 2809/4885

“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.