SCHEMBL4144693

SCHEMBL4144693

COc1ccccc1-c1nc2c(c(=O)n1CCC1CCCCC1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.42
TNKS2 Q9H2K2 5/20 0.42
CACNB4 O00305 1/20 0.40
CACNA1A O00555 1/20 0.40
CACNA1G O43497 1/20 0.40
CACNG3 O60359 1/20 0.40
CACNA1F O60840 1/20 0.40
CACNA1H O95180 1/20 0.40
ACHE P22303 1/20 0.40
CACNB3 P54284 1/20 0.40
CACNA2D1 P54289 1/20 0.40
CACNG7 P62955 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNG1 Q06432 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
CACNA1E Q15878 1/20 0.40

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
SCHEMBL4150703 0.85 HPGD (0.44) HPGDSMN1; SMN2TSHRHTR2AKDM4E
SCHEMBL4148575 0.85 HPGD (0.44) HPGDSMN1; SMN2TSHRHTR2AKDM4E
SCHEMBL4142349 0.84 TP53 (0.51) TNKSTNKS2CACNB4CACNA1ACACNA1G
SCHEMBL4148530 0.83 HPGD (0.45) HPGDTSHRHTR2AKDM4EALDH1A1
SCHEMBL13851604 0.82 CNR1 (0.40) HPGDLMNASMN1; SMN2HIF1AGAA
SCHEMBL4140425 0.79 LMNA (0.42) TNKSTNKS2HPGDLMNAGAA
SCHEMBL13851592 0.73 TP53 (0.50) SMN1; SMN2TSHRALDH1A1NPSR1
SCHEMBL3918061 0.73 CNR1 (0.52) HPGDLMNAGAAALDH1A1CNR1
SCHEMBL5031978 0.72 TNKS (0.44) TNKSTNKS2HPGDLMNAPARP10
SCHEMBL4143019 0.72 TP53 (0.49) LMNASMN1; SMN2HIF1ATSHRMAPK1

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-20090137557-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION 2009-05-28 US disclosed
EP-1951244-A2 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
WO-2007062370-A2 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO 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-20090137557-A1 Calcilytic Compounds CALCR, SOST, CALCB TNKS 2115/4885TNKS2 1355/4885CACNB4 128/4885

“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.