SCHEMBL4283905

SCHEMBL4283905

COc1c(C2CCc3ccccc32)[c]ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
TAS1R2 Q8TE23 2/20 0.41
GID4 Q8IVV7 1/20 0.40
SIGMAR1 Q99720 1/20 0.37
ADRA1A P35348 2/20 0.35
PIN1 Q13526 1/20 0.35
IDO1 P14902 2/20 0.35
PDPK1 O15530 1/20 0.35
CHRNA7 P36544 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP2D6 P10635 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 4/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 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
SCHEMBL4280697 0.80 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2SIGMAR1ADRA1A
SCHEMBL4276600 0.77 ADRA1A (0.40) TAS1R3TAS1R1TAS1R2SIGMAR1ADRA1A
SCHEMBL4274905 0.77 PIN1 (0.46) GID4SIGMAR1ADRA1APIN1DRD2
SCHEMBL4280144 0.71 PDPK1 (0.41) TAS1R3TAS1R1TAS1R2SIGMAR1ADRA1A
SCHEMBL9987957 0.69 TAS1R3 (0.47) TAS1R3TAS1R1GID4PIN1KDM4E
SCHEMBL4275619 0.69 PIN1 (0.43) TAS1R3TAS1R1TAS1R2SIGMAR1ADRA1A
SCHEMBL4276972 0.69 ADRA1A (0.40) TAS1R3TAS1R1SIGMAR1ADRA1APIN1
SCHEMBL4279564 0.69 ADRA1A (0.38) TAS1R3TAS1R1TAS1R2SIGMAR1ADRA1A
SCHEMBL9316441 0.68 KDM4E (0.47) TAS1R3TAS1R1GID4PIN1KDM4E
SCHEMBL4284576 0.66 PIN1 (0.40) TAS1R3TAS1R1TAS1R2ADRA1APIN1

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 TAS1R3 4782/4885TAS1R1 4831/4885TAS1R2 4826/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 TAS1R3 4767/4885TAS1R1 4829/4885TAS1R2 4814/4885

“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.