SCHEMBL7076510

SCHEMBL7076510

CCOC(=O)C=C1CCc2cc(OC)ccc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
DRD3 P35462 3/20 0.43
MTNR1A P48039 7/20 0.43
MTNR1B P49286 6/20 0.43
NQO2 P16083 5/20 0.43
ESR2 Q92731 2/20 0.41
DRD4 P21917 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD4 O60885 1/20 0.39
ESR1 P03372 1/20 0.38

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
SCHEMBL7131312 1.00 DRD2 (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL13221540 1.00 DRD2 (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL14761632 0.95 MTNR1A (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL16510284 0.95 MTNR1A (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL7073014 0.95 MTNR1A (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL7076288 0.93 MAPT (0.43) DRD2DRD1DRD5DRD3ESR2
SCHEMBL7076293 0.93 MAPT (0.43) DRD2DRD1DRD5DRD3ESR2
SCHEMBL7075532 0.88 MAPT (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL7075529 0.88 MAPT (0.43) DRD2DRD1DRD5DRD3MTNR1A
SCHEMBL14137057 0.83 ESR2 (0.42) ESR2BRD4

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 283/4885DRD1 648/4885DRD5 276/4885

“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.