SCHEMBL5785243

SCHEMBL5785243

Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCCCN(C)C)n3Cc3ccccc32)cc1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.45
AVPR2 P30518 12/20 0.44
NAMPT P43490 2/20 0.41
MAPK14 Q16539 1/20 0.39
DRD2 P14416 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
SCHEMBL5783668 0.92 AVPR2 (0.51) AVPR1AAVPR2NAMPTDRD2
SCHEMBL5783300 0.92 AVPR2 (0.51) AVPR1AAVPR2NAMPTDRD2
SCHEMBL5784495 0.92 AVPR1A (0.41) AVPR1AAVPR2NAMPT
SCHEMBL5784370 0.91 AVPR2 (0.54) AVPR1AAVPR2NAMPTMAPK14
SCHEMBL3536824 0.89 AVPR2 (0.43) AVPR1AAVPR2NAMPT
SCHEMBL3533000 0.88 AVPR2 (0.42) AVPR1AAVPR2NAMPT
SCHEMBL5784979 0.87 AVPR2 (0.46) AVPR1AAVPR2NAMPT
SCHEMBL5787330 0.87 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL5785784 0.87 AVPR2 (0.55) AVPR1AAVPR2NAMPTDRD2
SCHEMBL3533015 0.85 AVPR2 (0.43) AVPR1AAVPR2

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 AVPR1A 62/4885AVPR2 91/4885NAMPT 4275/4885

“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.