SCHEMBL4899723

SCHEMBL4899723

CC(C)(C)OC(=O)N1CCN(c2cccc3[nH]c(CN)nc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.54
HTR6 P50406 3/20 0.47
MAP4K4 O95819 1/20 0.44
KIT P10721 1/20 0.43
SMARCA2 P51531 1/20 0.43
SMARCA4 P51532 1/20 0.43
PBRM1 Q86U86 1/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
KCNH2 Q12809 1/20 0.42
GNRHR P30968 2/20 0.42
ACHE P22303 1/20 0.42
ATR Q13535 1/20 0.41

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
SCHEMBL4172924 0.87 PARP1 (0.49) PARP1HTR6MAP4K4KITCKS1B
SCHEMBL10004541 0.84 PARP1 (0.55) PARP1HTR6MAP4K4KITSMARCA2
SCHEMBL4889402 0.80 BACE1 (0.49) PARP1HTR6KITACHE
SCHEMBL13324606 0.78 GNRHR (0.65) GNRHR
SCHEMBL29337387 0.77 DRD2 (0.51) PARP1MAP4K4KITSMARCA2SMARCA4
SCHEMBL110163 0.74 NCF1 (0.51) KITSMARCA2SMARCA4PBRM1CKS1B
SCHEMBL3673763 0.74 TRPV1 (0.53) PARP1KITSMARCA2SMARCA4PBRM1
SCHEMBL23629118 0.74 SMARCA2 (0.51) MAP4K4KITSMARCA2SMARCA4PBRM1
SCHEMBL1048457 0.74 POLB (0.55) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL1537800 0.73 CKS1B (0.50) PARP1MAP4K4KITSMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 PARP1 1231/4885HTR6 2506/4885MAP4K4 1277/4885

“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.