SCHEMBL7107610

SCHEMBL7107610

COc1cc(C(=O)N2Cc3ccc(C=O)n3Cc3ccccc32)ccc1-n1c(C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
AVPR2 P30518 6/20 0.45
MCL1 Q07820 1/20 0.42
AVPR1A P37288 7/20 0.42
LMNA P02545 1/20 0.40
ROCK2 O75116 1/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 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
SCHEMBL7109575 0.85 AVPR2 (0.51) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7115671 0.85 AVPR2 (0.48) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL5836585 0.83 AVPR2 (0.48) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL5785308 0.82 AVPR2 (0.47) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7114677 0.81 AVPR2 (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL5835280 0.81 AVPR2 (0.46) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7108357 0.80 AVPR1A (0.52) AVPR2AVPR1A
SCHEMBL5782635 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL5787160 0.80 AVPR2 (0.47) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL5784354 0.80 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DAVPR2

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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
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 PDE4A 2872/4885PDE4B 3655/4885PDE4C 3678/4885

“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.