SCHEMBL5218595

SCHEMBL5218595

CCOC(=O)CCCCCN(C)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 4/20 0.54
SKP1 P63208 4/20 0.54
SKP2 Q13309 4/20 0.54
FAAH O00519 5/20 0.50
ADORA3 P0DMS8 3/20 0.49
NR1I2 O75469 2/20 0.49
TBXA2R P21731 2/20 0.49
AGTR1 P30556 2/20 0.49
PTGIR P43119 2/20 0.49
PDE4D Q08499 2/20 0.49
PTGDR Q13258 2/20 0.49
DRD1 P21728 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CNR1 P21554 2/20 0.44
ABCB11 O95342 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL5213530 1.00 CKS1B (0.54) CKS1BSKP1SKP2FAAHADORA3
SCHEMBL5212978 0.89 CKS1B (0.59) CKS1BSKP1SKP2FAAHADORA3
SCHEMBL5214740 0.89 CKS1B (0.59) CKS1BSKP1SKP2FAAHADORA3
SCHEMBL5210834 0.89 CKS1B (0.59) CKS1BSKP1SKP2FAAHADORA3
SCHEMBL5214404 0.87 CKS1B (0.56) CKS1BSKP1SKP2ADORA3NR1I2
SCHEMBL5211270 0.87 CKS1B (0.56) CKS1BSKP1SKP2ADORA3NR1I2
SCHEMBL5212294 0.87 CKS1B (0.56) CKS1BSKP1SKP2ADORA3NR1I2
SCHEMBL5218494 0.87 CKS1B (0.56) CKS1BSKP1SKP2ADORA3NR1I2
SCHEMBL18614740 0.83 ADORA3 (0.66) CKS1BSKP1SKP2FAAHADORA3
SCHEMBL21014635 0.80 CKS1B (0.59) CKS1BSKP1SKP2ADORA3NR1I2

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
US-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN 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.