SCHEMBL4280144

SCHEMBL4280144

Cc1cc[c]c(C2CCc3ccccc32)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
ADRA1A P35348 2/20 0.38
MAOA P21397 3/20 0.35
MAOB P27338 3/20 0.35
BCHE P06276 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ACHE P22303 1/20 0.35
HTR6 P50406 1/20 0.35
PIN1 Q13526 1/20 0.35
TAS1R3 Q7RTX0 3/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
IDO1 P14902 2/20 0.34
SLC18A3 Q16572 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 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
SCHEMBL9988032 0.92 GID4 (0.41) ADRA1ATAS1R3TAS1R1TAS1R2IDO1
SCHEMBL4280697 0.83 TAS1R3 (0.45) PDPK1SIGMAR1ADRA1APIN1TAS1R3
SCHEMBL4279564 0.83 ADRA1A (0.38) PDPK1SIGMAR1ADRA1AMAOAMAOB
SCHEMBL4277910 0.79 ADRA1A (0.39) PDPK1SIGMAR1ADRA1AMAOAMAOB
SCHEMBL4275619 0.78 PIN1 (0.43) PDPK1SIGMAR1ADRA1APIN1TAS1R3
SCHEMBL9987957 0.75 TAS1R3 (0.47) PIN1TAS1R3TAS1R1
SCHEMBL4276972 0.72 ADRA1A (0.40) PDPK1SIGMAR1ADRA1APIN1TAS1R3
SCHEMBL4276600 0.72 ADRA1A (0.40) PDPK1SIGMAR1ADRA1AMAOAMAOB
SCHEMBL4274905 0.71 PIN1 (0.46) SIGMAR1ADRA1APIN1
SCHEMBL4283905 0.71 TAS1R3 (0.41) PDPK1SIGMAR1ADRA1APIN1TAS1R3

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 PDPK1 3769/4885SIGMAR1 3718/4885ADRA1A 1394/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDPK1 3529/4885SIGMAR1 3801/4885ADRA1A 1505/4885

“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.