SCHEMBL4288094

SCHEMBL4288094

CC(c1ccccn1)c1ccc[c]c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 1/20 0.38
KCNA5 P22460 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CHRM1 P11229 6/20 0.35
CHRM2 P08172 5/20 0.35
CHRM4 P08173 5/20 0.35
CHRM5 P08912 5/20 0.35
CHRM3 P20309 5/20 0.35
HRH1 P35367 5/20 0.35
KCNH2 Q12809 4/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL20621455 0.78 GABRA1 (0.55) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL20621456 0.78 GABRA1 (0.55) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL2649990 0.75 SLC6A2 (0.41) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL725091 0.73 SLC6A2 (0.54) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL28752820 0.73 SLC6A2 (0.42) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL315614 0.72 GABRA1 (0.50) CYP1A2CYP3A4SLC6A2TSHRGABRA1
Ammonia Solution, Strong SCHEMBL7995788 0.71 SLC6A2 (0.52) CYP1A2CYP3A4KCNA5SLC6A2SLC6A4
SCHEMBL12475663 0.70 TYR (0.58) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL1637966 0.70 CHRM2 (0.39) CYP1A2CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL483577 0.69 PARP1 (0.45) CYP1A2CYP3A4SLC6A3TSHRMAPT

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 CYP1A2 4607/4885CYP3A4 4637/4885KCNA5 2690/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CYP1A2 4662/4885CYP3A4 4703/4885KCNA5 2676/4885

“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.