SCHEMBL4878710

SCHEMBL4878710

CC(=O)OCc1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.42
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
MAP4K4 O95819 1/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
PARP1 P09874 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL4163673 0.84 ACHE (0.42) ACHECKS1BSKP1SKP2ALDH1A1
SCHEMBL4887610 0.81 BACE1 (0.51) ACHECKS1BSKP1SKP2MAPT
SCHEMBL4889339 0.78 SLC6A7 (0.34) ALDH1A1MAPT
SCHEMBL4172924 0.78 PARP1 (0.49) ACHECKS1BSKP1SKP2ALDH1A1
SCHEMBL5776881 0.76 ALDH1A1 (0.43) ACHECKS1BSKP1SKP2CHRM2
SCHEMBL4887137 0.75 HTR1A (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL25103465 0.74 SMARCA2 (0.47) CKS1BSKP1SKP2CHRM2CHRM4
SCHEMBL27250071 0.74 CKS1B (0.47) ACHECKS1BSKP1SKP2CHRM2
SCHEMBL5775785 0.73 KCNH2 (0.41) ACHECKS1BSKP1SKP2CHRM2
SCHEMBL25104327 0.73 MAP4K4 (0.46) CKS1BSKP1SKP2CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 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 (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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 ACHE 4800/4885CKS1B 1259/4885SKP1 3512/4885

“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.