SCHEMBL4278950

SCHEMBL4278950

[c]1ncccc1C1CCc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.51
ADRA2A P08913 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP11B2 P19099 4/20 0.42
CYP19A1 P11511 4/20 0.42
CYP17A1 P05093 1/20 0.42
CYP2D6 P10635 2/20 0.39
HTR1A P08908 1/20 0.39
OPRM1 P35372 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9987818 0.91 ADRA1A (0.54) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL4795332 0.75 ADRA1A (0.44) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL4287986 0.71 HTR6 (0.49) ADRA1ACYP11B2CYP19A1CYP17A1DRD2
SCHEMBL8086470 0.70 ADRA1A (0.63) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL10650694 0.69 ADRA1A (0.57) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL874693 0.69
SCHEMBL8189288 0.69 ADRA1A (0.49) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL28329126 0.69 ADRA1A (0.53) ADRA1AADRA2AADRA1DADRA1BCYP11B2
SCHEMBL5680358 0.69 ADRA1A (0.39) ADRA1ACYP11B2TAAR1IDO1PDPK1
SCHEMBL4274553 0.68 HTR6 (0.40) ADRA1AADRA2AADRA1DADRA1BCYP11B2

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 ADRA1A 1394/4885ADRA2A 1085/4885ADRA1D 1072/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADRA1A 1505/4885ADRA2A 1206/4885ADRA1D 1061/4885

“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.