SCHEMBL7078710

SCHEMBL7078710

CCOC(=O)CCC1Cc2cc(OC)ccc2NC1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
OPRM1 P35372 1/20 0.40
BRD4 O60885 1/20 0.40
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
METAP1 P53582 2/20 0.39
PPARG P37231 2/20 0.39
SRC P12931 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL7073535 0.86 HSD17B1 (0.40) BRD4TSHRALOX15MAPTKMT2A
SCHEMBL6414529 0.84 MTNR1A (0.46) BRD4KMT2A
SCHEMBL6414533 0.84 MTNR1A (0.46) BRD4KMT2A
SCHEMBL7945190 0.82 ALDH1A1 (0.48) PDE3BPDE3ATSHRALOX15MAPT
SCHEMBL7076204 0.79 BRD4 (0.39) BRD4TSHRMAPTKMT2AGAA
SCHEMBL14425118 0.78 MTNR1A (0.57)
SCHEMBL6526999 0.76 PDE3B (0.35) PDE3BPDE3ABRD4TSHRALOX15
SCHEMBL7075428 0.76 BRD4 (0.42) PDE3BPDE3AOPRM1BRD4TSHR
SCHEMBL7826091 0.75 PDE3B (0.50) PDE3BPDE3ATSHRMAPTKMT2A
SCHEMBL7073283 0.75 HSD17B1 (0.47) OPRM1TSHRALOX15MAPTKMT2A

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-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

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 PDE3B 518/4885PDE3A 700/4885OPRM1 97/4885

“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.