SCHEMBL5789209

SCHEMBL5789209

COc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(CCN(C)C)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.47
AVPR1A P37288 5/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ROCK2 O75116 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HSD11B1 P28845 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL5788076 0.96 AVPR2 (0.46) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5788372 0.95 AVPR2 (0.51) AVPR2AVPR1AROCK2PDE4APDE4B
SCHEMBL5784619 0.94 AVPR2 (0.47) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5784064 0.93 AVPR2 (0.45) AVPR2AVPR1A
SCHEMBL6485008 0.92 AVPR2 (0.46) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5786615 0.91 AVPR2 (0.46) AVPR2AVPR1AALDH1A1ROCK2PDE4A
SCHEMBL5784242 0.91 AVPR2 (0.49) AVPR2AVPR1AALDH1A1ROCK2PDE4A
SCHEMBL5784230 0.91 AVPR2 (0.43) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5782104 0.90 AVPR2 (0.50) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5781864 0.90 AVPR2 (0.46) AVPR2AVPR1AKDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP 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 62/4885KDM4E 3606/4885

“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.