SCHEMBL4284576

SCHEMBL4284576

Oc1cc[c]c(Cl)c1C1CCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.40
ADRA1A P35348 1/20 0.38
PDPK1 O15530 1/20 0.37
DRD1 P21728 7/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 1/20 0.35
TP53 P04637 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP3A4 P08684 1/20 0.35

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 0.74 TAS1R3 (0.45) PIN1ADRA1APDPK1DRD1DRD2
SCHEMBL4275619 0.72 PIN1 (0.43) PIN1ADRA1APDPK1DRD1TAS1R3
SCHEMBL5710152 0.71 PIN1 (0.51) PIN1ADRA1APDPK1DRD1TAS1R3
SCHEMBL4277910 0.71 ADRA1A (0.39) PIN1ADRA1APDPK1TAS1R3TAS1R1
SCHEMBL9317554 0.70 PIN1 (0.44) PIN1ADRA1APDPK1DRD1DRD2
SCHEMBL14283849 0.70 DRD1 (0.47) PIN1ADRA1ADRD1DRD2DRD4
SCHEMBL4276600 0.69 ADRA1A (0.40) ADRA1APDPK1CYP2D6CYP2C9TAS1R3
SCHEMBL4280144 0.69 PDPK1 (0.41) PIN1ADRA1APDPK1TAS1R3TAS1R1
SCHEMBL4279564 0.69 ADRA1A (0.38) PIN1ADRA1APDPK1TAS1R3TAS1R1
SCHEMBL7584497 0.68 PDPK1 (0.42) PIN1ADRA1APDPK1TAS1R3TAS1R1

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 PIN1 2179/4885ADRA1A 1394/4885PDPK1 3769/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PIN1 2159/4885ADRA1A 1505/4885PDPK1 3529/4885

“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.