SCHEMBL5113525

SCHEMBL5113525

COc1cc(I)c(Cl)cc1C(=O)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.59
AVPR1A P37288 8/20 0.59
OXTR P30559 1/20 0.54

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 0.87 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL5787603 0.85 AVPR2 (0.62) AVPR2AVPR1AOXTR
SCHEMBL5835233 0.84 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL5112658 0.82 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL5782751 0.82 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL5835146 0.82 AVPR2 (0.55) AVPR2AVPR1AOXTR
SCHEMBL5115638 0.81 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6069111 0.81 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6068813 0.81 AVPR2 (0.51) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 US disclosed
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 US disclosed
US-6977254-B2 Hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2005-12-20 US disclosed
EP-1377585-B1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-11-09 EP disclosed
EP-1381607-B1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-10-26 EP disclosed
US-6903087-B2 For prevention and/or suppression of preterm labor, suppression of labor at term prior to caesarean delivery, and for the treatment of dysmenorrhea; useful in enhancing fertility rates WYETH (US) 2005-06-07 US disclosed
EP-1377584-B1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH CORP (US) 2005-02-16 EP disclosed
EP-1381607-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-21 EP disclosed
EP-1377584-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES AS VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS Wyeth (US) 2004-01-07 EP disclosed
EP-1377585-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-01-02 US disclosed
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH 2002-12-26 US disclosed
US-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2002-12-05 US disclosed
WO-2002083684-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPI NE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083682-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083681-A1 NOVEL CYCLOHEXENYL PHENYL DIAZEPINES VASOPRESSIN AND OXYTOCIN RECEPTOR MODULATORS WYETH (US) 2002-10-24 WO 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 (4 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-20020183311-A1 Novel hydroxy cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, HTR1E, HTR3E AVPR2 46/4885AVPR1A 21/4885OXTR 1/4885
US-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, PRLHR AVPR2 74/4885AVPR1A 59/4885OXTR 1/4885
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B AVPR2 2/4885AVPR1A 4/4885OXTR 1/4885
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 38/4885AVPR1A 23/4885OXTR 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.