SCHEMBL5213730

SCHEMBL5213730

CN(CC1CCc2c(O)cccc2C1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
CYP19A1 P11511 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
DRD2 P14416 10/20 0.39
DRD3 P35462 7/20 0.39
DRD4 P21917 5/20 0.39
DRD1 P21728 4/20 0.39
HTR1A P08908 1/20 0.39
DRD5 P21918 1/20 0.39
HTR7 P34969 1/20 0.39
ADRB2 P07550 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL5214583 0.84 PTGIR (0.57) PTGIRPTGDR
SCHEMBL5214413 0.81 CKS1B (0.48) CKS1BSKP1SKP2PTGIRPTGDR
SCHEMBL5211053 0.74 CKS1B (0.48) CKS1BSKP1SKP2CYP19A1CA1
SCHEMBL9005688 0.66 CYP19A1 (0.62) CYP19A1CA1CA2ACHEDRD2
SCHEMBL7485445 0.65 DRD2 (0.47) DRD2DRD3DRD4DRD1HTR1A
SCHEMBL29062621 0.65 DRD2 (0.59) CYP19A1DRD2DRD3DRD4DRD1
SCHEMBL29062570 0.65 DRD2 (0.59) CYP19A1DRD2DRD3DRD4DRD1
SCHEMBL5214939 0.65 CKS1B (0.54) CKS1BSKP1SKP2DRD1TSHR
SCHEMBL19823468 0.65 CKS1B (0.56) CKS1BSKP1SKP2DRD1HTR1A
SCHEMBL7776686 0.65 DRD2 (0.63) CYP19A1CA1CA2ACHEDRD2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP 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 (1 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 CKS1B 858/4885SKP1 2426/4885SKP2 3622/4885

“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.