SCHEMBL7168538

SCHEMBL7168538

COc1ccc2c(c1)Cc1c(C)cccc1C(=O)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.46
DRD2 P14416 4/20 0.43
DRD1 P21728 4/20 0.43
DRD5 P21918 4/20 0.43
DRD3 P35462 4/20 0.43
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
MAOB P27338 1/20 0.42
CYP26A1 O43174 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
MIF P14174 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL33527391 0.84 CA1 (0.50) METAP1DRD2DRD1DRD5DRD3
SCHEMBL26780002 0.84 CA1 (0.50) METAP1DRD2DRD1DRD5DRD3
SCHEMBL6642979 0.80 DRD1 (0.57) METAP1DRD2DRD1DRD5DRD3
SCHEMBL7040518 0.80 DRD1 (0.57) METAP1DRD2DRD1DRD5DRD3
SCHEMBL1512717 0.72 METAP1 (0.69) METAP1MAOBACHEBACE1MIF
SCHEMBL11182735 0.71 METAP1 (0.59) METAP1CA1CA2CA4CA6
SCHEMBL7169702 0.71 METAP1 (0.51) METAP1DRD2DRD1DRD5DRD3
SCHEMBL15970151 0.71 METAP1 (0.51) METAP1DRD2DRD1DRD5DRD3
SCHEMBL4041676 0.71 METAP1 (0.58) METAP1DRD2DRD1DRD5DRD3
SCHEMBL12595448 0.71

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-6576643-B2 Compounds containing dibenzo(A,D)cycloheptene or dibenz(B,F)oxepine derivatives are useful for treating osteoporosis, cardiovascular diosrders, cancer and inflammation SMITHKLINE BEECHAM CORPORATION 2003-06-10 US disclosed
US-20020091264-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2002-07-11 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-20020091264-A1 Vitronectin receptor antagonists CALCR, ADGRF1, CALCRL METAP1 811/4885DRD2 3040/4885DRD1 3973/4885

“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.