SCHEMBL5834841

SCHEMBL5834841

Cc1cc(C(=O)N2Cc3cccn3Cc3ccc(C(=O)O)cc32)ccc1-c1ccccc1C(F)(F)F.[Na]

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.52
AVPR2 P30518 10/20 0.52

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
SCHEMBL5783831 0.99 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL5834833 0.98 AVPR1A (0.52) AVPR1AAVPR2
SCHEMBL5834839 0.91 AVPR1A (0.51) AVPR1AAVPR2
SCHEMBL5783562 0.90 AVPR1A (0.50) AVPR1AAVPR2
SCHEMBL5787646 0.89 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL5781862 0.85 AVPR1A (0.49) AVPR1AAVPR2
SCHEMBL5835650 0.81 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL3535343 0.79 AVPR1A (0.78) AVPR1AAVPR2
SCHEMBL5786133 0.79 AVPR1A (0.55) AVPR1AAVPR2
SCHEMBL5785156 0.77 AVPR2 (0.47) 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 3 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 disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR1A 33/4885AVPR2 70/4885

“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.