SCHEMBL7073014

SCHEMBL7073014

CCOC(=O)C=C1CCc2ccc(OC)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.43
MTNR1B P49286 6/20 0.43
NQO2 P16083 5/20 0.43
ESR2 Q92731 1/20 0.41
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD5 P21918 2/20 0.40
DRD3 P35462 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 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
SCHEMBL14761632 1.00 MTNR1A (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL16510284 1.00 MTNR1A (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL7131312 0.95 DRD2 (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL7076510 0.95 DRD2 (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL13221540 0.95 DRD2 (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL7075532 0.93 MAPT (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL7075529 0.93 MAPT (0.43) MTNR1AMTNR1BNQO2ESR2DRD2
SCHEMBL7076288 0.88 MAPT (0.43) ESR2DRD2DRD1DRD5DRD3
SCHEMBL7076293 0.88 MAPT (0.43) ESR2DRD2DRD1DRD5DRD3
SCHEMBL14768689 0.82 CYP4F2 (0.44) ESR2BRD4ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576520-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE Healthcare UK Limited (GB) 2013-04-10 EP disclosed
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2013-03-14 US disclosed
WO-2011150183-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF GE HEALTHCARE LIMITED (GB) 2011-12-01 WO disclosed
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 (2 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 MTNR1A 977/4885MTNR1B 435/4885NQO2 3240/4885
US-20130064770-A1 RADIOLABELED COMPOUNDS AND METHODS THEREOF HTR5A, HTR3B, HTR1A MTNR1A 93/4885MTNR1B 66/4885NQO2 575/4885

“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.