SCHEMBL7112850

SCHEMBL7112850

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C=O)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.42
AVPR1A P37288 5/20 0.42
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
HSD17B3 P37058 1/20 0.36

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
SCHEMBL7111249 0.86 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL5784142 0.84 AVPR2 (0.57) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL7114677 0.84 AVPR2 (0.49) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5842796 0.83 AVPR2 (0.43) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5785589 0.82 AVPR2 (0.45) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5785393 0.82 AVPR2 (0.49) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5783256 0.82 AVPR2 (0.55) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5785436 0.81 AVPR2 (0.47) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5835574 0.81 TSHR (0.43) AVPR2AVPR1AALDH1A1TP53MAPT
SCHEMBL5785079 0.81 AVPR2 (0.42) AVPR2AVPR1AALDH1A1TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 91/4885AVPR1A 62/4885ALDH1A1 3354/4885

“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.