SCHEMBL4528922

SCHEMBL4528922

Cc1ccnc(N2CCC(CNC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 1/20 0.59
SKP1 P63208 1/20 0.59
SKP2 Q13309 1/20 0.59
ACACB O00763 10/20 0.52
ACACA Q13085 10/20 0.52
CHRM4 P08173 1/20 0.51
SUV39H2 Q9H5I1 2/20 0.48
DRD2 P14416 2/20 0.46
GPBAR1 Q8TDU6 1/20 0.43

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
SCHEMBL6066437 0.83 CKS1B (0.54) CKS1BSKP1SKP2ACACBACACA
SCHEMBL6697501 0.82 CKS1B (0.61) CKS1BSKP1SKP2ACACBACACA
SCHEMBL23174251 0.82 CKS1B (0.61) CKS1BSKP1SKP2ACACBACACA
SCHEMBL6066402 0.82 CKS1B (0.61) CKS1BSKP1SKP2ACACBACACA
SCHEMBL12916519 0.82 GPR119 (0.57) CKS1BSKP1SKP2ACACBACACA
SCHEMBL6066417 0.81 GPR119 (0.61) CKS1BSKP1SKP2ACACBACACA
SCHEMBL6066394 0.80 CKS1B (0.54) CKS1BSKP1SKP2ACACBACACA
SCHEMBL13556492 0.80 CKS1B (0.56) CKS1BSKP1SKP2ACACBACACA
SCHEMBL13472398 0.80 CKS1B (0.58) CKS1BSKP1SKP2ACACBACACA
SCHEMBL7239787 0.79 SYK (0.56) CKS1BSKP1SKP2SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927534-B2 Compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2015-01-06 US disclosed
US-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2009-04-23 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 (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-20090104116-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF ITGA1, ITGB1, ITGA5 CKS1B 934/4885SKP1 1784/4885SKP2 689/4885

“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.