SCHEMBL4277910

SCHEMBL4277910

Cc1[c]ccc(C2CCc3ccccc32)c1O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ SIGMAR1 Q99720 2/20 0.38
▸ PIN1 Q13526 1/20 0.36
▸ IDO1 P14902 2/20 0.36
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL4280144 0.79 PDPK1 (0.41) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL15846513 0.76 PIN1 (0.47) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL9316636 0.74 CETP (0.43) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL4280697 0.74 TAS1R3 (0.45) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL4279564 0.74 ADRA1A (0.38) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL8849605 0.73 DDB1 (0.53) ADRA1APDPK1SIGMAR1IDO1CYP11B2
SCHEMBL5710152 0.73 PIN1 (0.51) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL7584497 0.73 PDPK1 (0.42) ADRA1APDPK1SIGMAR1PIN1IDO1
SCHEMBL14283849 0.72 DRD1 (0.47) ADRA1APIN1
SCHEMBL9988032 0.71 GID4 (0.41) ADRA1AIDO1TAS1R3TAS1R1TAS1R2

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

“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.

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