SCHEMBL5131792

SCHEMBL5131792

COC(=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CC1CN(Cc3ccccc3-c3ccc(Cl)cc3)CCN21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR7 P34969 2/20 0.42
BCL2 P10415 12/20 0.42
BCL2L1 Q07817 6/20 0.42
BAK1 Q16611 7/20 0.41
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
DRD2 P14416 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36

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
SCHEMBL5130211 0.92 HTR7 (0.41) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5128824 0.80 BCL2 (0.44) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5129265 0.77 BCL2 (0.45) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5122935 0.77 HTR7 (0.40) HTR7BCL2BCL2L1BAK1USP2
SCHEMBL5131823 0.75 HDAC1 (0.42) HDAC1HDAC6ALOX15HSD17B10MAPT
SCHEMBL1769685 0.74 HTR7 (0.45) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL1769972 0.74 HTR7 (0.43) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5123692 0.74 DRD2 (0.51) HTR7BCL2BCL2L1BAK1DRD2
SCHEMBL5126392 0.74 DRD2 (0.51) HTR7BCL2BCL2L1BAK1DRD2
Hydrochloric Acid SCHEMBL5132534 0.73 DRD2 (0.50) HTR7BCL2BCL2L1BAK1DRD2

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-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2008-08-07 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-20080188460-A1 Tricyclic compounds, a process for their preparation and pharmaceutical compositions containing them BAX, BCL2, CASP3 HDAC1 265/4885HDAC6 477/4885HTR7 194/4885

“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.