SCHEMBL5785604

SCHEMBL5785604

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
AVPR1A P37288 7/20 0.38
EPHX2 P34913 2/20 0.35
CHRNA7 P36544 1/20 0.35
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL5785033 0.93 AVPR2 (0.41) AVPR2PDCD1CD274AVPR1A
SCHEMBL5784602 0.92 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL5782086 0.91 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5783678 0.91 AVPR2 (0.46) AVPR2PDCD1CD274AVPR1ACHRNA7
SCHEMBL5785928 0.89 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL5783023 0.89 AVPR2 (0.42) AVPR2AVPR1A
Hydrochloric Acid SCHEMBL5784297 0.88 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL6486476 0.88 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL6476757 0.88 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL6475993 0.88 AVPR2 (0.45) AVPR2PDCD1CD274AVPR1A

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 8 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
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO 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
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 91/4885PDCD1 489/4885CD274 1185/4885

“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.