SCHEMBL5835233

SCHEMBL5835233

COc1cc(-c2ccccc2F)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.55
AVPR1A P37288 10/20 0.55
OXTR P30559 2/20 0.51

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
SCHEMBL5786363 0.92 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL5835146 0.89 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL5782751 0.87 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL6069111 0.84 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL5113525 0.84 AVPR2 (0.59) AVPR2AVPR1AOXTR
SCHEMBL5835691 0.83 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL5115638 0.83 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6068813 0.82 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL5785865 0.80 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL4138774 0.80 AVPR2 (0.61) AVPR2AVPR1AOXTR

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 6 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-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 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 (3 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
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885AVPR1A 33/4885OXTR 1/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885AVPR1A 30/4885OXTR 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.