SCHEMBL4276972

SCHEMBL4276972

Fc1ccc[c]c1C1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.40
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 2/20 0.37
PDPK1 O15530 1/20 0.37
CYP11B2 P19099 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
PIN1 Q13526 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
HTR1A P08908 1/20 0.33
OPRM1 P35372 1/20 0.33
CYP2D6 P10635 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
SCHEMBL4275619 0.81 PIN1 (0.43) ADRA1ASIGMAR1IDO1PDPK1CYP11B2
SCHEMBL4276600 0.81 ADRA1A (0.40) ADRA1ASIGMAR1IDO1PDPK1TAS1R3
SCHEMBL4279564 0.81 ADRA1A (0.38) ADRA1ASIGMAR1IDO1PDPK1CYP11B2
SCHEMBL4274905 0.78 PIN1 (0.46) ADRA1ASIGMAR1PIN1ADRA2A
SCHEMBL4277538 0.77 PIN1 (0.43) ADRA1ASIGMAR1NPSR1TAS1R3TAS1R1
SCHEMBL6639476 0.76 PRCP (0.54) NPSR1OPRM1
SCHEMBL4280262 0.76 CA1 (0.43) ADRA1ASIGMAR1IDO1PDPK1PIN1
SCHEMBL4276692 0.76 PIN1 (0.42) ADRA1ASIGMAR1IDO1TAS1R3TAS1R1
SCHEMBL4795332 0.73 ADRA1A (0.44) ADRA1ASIGMAR1IDO1PDPK1CYP11B2
SCHEMBL9988082 0.73 ADRA2A (0.43) ADRA1AIDO1TAS1R3TAS1R1PIN1

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 1394/4885SIGMAR1 3718/4885IDO1 4569/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 ADRA1A 1505/4885SIGMAR1 3801/4885IDO1 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.