SCHEMBL7109575

SCHEMBL7109575

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C=O)n3Cc3ccccc32)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.51
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ROCK2 O75116 2/20 0.45
AVPR1A P37288 7/20 0.45
LMNA P02545 1/20 0.41
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5836585 0.94 AVPR2 (0.48) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7115671 0.94 AVPR2 (0.48) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5835280 0.91 AVPR2 (0.46) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7108357 0.90 AVPR1A (0.52) AVPR2AVPR1ARAB9ASMN1; SMN2
SCHEMBL7114677 0.88 AVPR2 (0.49) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7107610 0.85 PDE4A (0.46) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5835303 0.83 AVPR1A (0.51) AVPR2AVPR1A
SCHEMBL5787922 0.82 AVPR2 (0.52) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL5835574 0.81 TSHR (0.43) AVPR2ROCK2AVPR1AALDH1A1RAB9A
SCHEMBL6632087 0.80 AVPR2 (0.54) AVPR2PDE4APDE4BPDE4CPDE4D

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 91/4885PDE4A 2872/4885PDE4B 3655/4885

“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.