SCHEMBL5784602

SCHEMBL5784602

Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(C)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.49
AVPR1A P37288 5/20 0.40
OXTR P30559 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BTK Q06187 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
SCHEMBL5785928 0.97 AVPR2 (0.47) AVPR2AVPR1AOXTRHRH4
SCHEMBL5782086 0.94 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL6475993 0.92 AVPR2 (0.45) AVPR2AVPR1AOXTR
SCHEMBL5785604 0.92 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5783023 0.92 AVPR2 (0.42) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL5784297 0.91 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL5783786 0.91 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL5785161 0.91 AVPR2 (0.54) AVPR2AVPR1AOXTRBTK
SCHEMBL5785035 0.90 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL6475735 0.90 AVPR2 (0.43) AVPR2AVPR1AMEN1KMT2A

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 4 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-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
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 62/4885OXTR 1/4885

“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.