SCHEMBL7071691

SCHEMBL7071691

CCOC(=O)CC1CCCc2ccc(O)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
DRD3 P35462 9/20 0.43
DRD4 P21917 6/20 0.43
HSD17B1 P14061 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTR1A P08908 1/20 0.42
ADRB2 P07550 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 1/20 0.42
LMNA P02545 2/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 1/20 0.41
MIF P14174 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
ADRB3 P13945 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL7071619 0.95 HSD17B1 (0.43) DRD2DRD3DRD4HSD17B1MEN1
SCHEMBL7073132 0.92 CYP19A1 (0.49) DRD2DRD3DRD4HSD17B1MEN1
SCHEMBL7077031 0.87 CYP19A1 (0.49) DRD2DRD3DRD4HSD17B1MEN1
SCHEMBL7073490 0.85 MTNR1B (0.47) DRD2DRD3DRD4KMT2ACYP19A1
SCHEMBL7071464 0.81 CYP26A1 (0.48) DRD2DRD3KMT2ACYP19A1CA1
SCHEMBL7297164 0.79 CYP19A1 (0.51) DRD2DRD3DRD4MEN1KMT2A
SCHEMBL7300384 0.79 ITGB3 (0.39) HSD17B1KMT2ALMNAMAPTACHE
SCHEMBL2358440 0.79 HSD17B1 (0.56) HSD17B1MEN1KMT2AMAPTMIF
SCHEMBL4632528 0.79 HSD17B1 (0.56) HSD17B1MEN1KMT2AMAPTMIF
SCHEMBL4819783 0.79 HSD17B1 (0.56) HSD17B1MEN1KMT2AMAPTMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin WYETH (US) 2003-06-12 US disclosed
US-6429214-B1 INHIBITORS OF BONE RESORPTION WYETH 2002-08-06 US disclosed
EP-1198231-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE(ALPHA)V(BETA)3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-24 EP disclosed
WO-2001007036-A1 BICYCLIC ANTAGONISTS SELECTIVE FOR THE αvβ3 INTEGRIN AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-01 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-20030109523-A1 Bicyclic antagonists selective for the alphavbeta3 integrin ITGAV, ITGB2, ITGB3 DRD2 283/4885DRD3 173/4885DRD4 600/4885

“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.