SCHEMBL4274553

SCHEMBL4274553

[c]1ncccc1OCC1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.40
ADRA1A P35348 2/20 0.39
IDO1 P14902 2/20 0.36
DRD2 P14416 1/20 0.35
CYP19A1 P11511 3/20 0.35
CYP11B2 P19099 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
BCHE P06276 1/20 0.34
CYP17A1 P05093 1/20 0.34
TBXAS1 P24557 1/20 0.34
P2RX7 Q99572 1/20 0.33

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
SCHEMBL4287986 0.76 HTR6 (0.49) HTR6ADRA1ADRD2CYP19A1CYP11B2
SCHEMBL1978450 0.75 PDE5A (0.36)
SCHEMBL28768460 0.70 HTR6 (0.50) HTR6ADRA1AIDO1DRD2MTNR1A
SCHEMBL4278950 0.68 ADRA1A (0.51) ADRA1AIDO1DRD2CYP19A1CYP11B2
SCHEMBL10447649 0.67 HTR6 (0.47) HTR6ADRA1AIDO1DRD2MTNR1A
SCHEMBL1036211 0.67
SCHEMBL3980047 0.66 HTR6 (0.46) HTR6IDO1CYP11B2MTNR1AMTNR1B
SCHEMBL3980044 0.66 HTR6 (0.46) HTR6ADRA1AIDO1MTNR1AMTNR1B
SCHEMBL3272778 0.66 HTR6 (0.38) HTR6ADRA1AIDO1CYP19A1CYP11B2
SCHEMBL27488330 0.65 HTR6 (0.56) HTR6ADRA1AIDO1CYP11B2MTNR1A

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
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 HTR6 2501/4885ADRA1A 1394/4885IDO1 4569/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HTR6 2756/4885ADRA1A 1505/4885IDO1 4592/4885

“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.