SCHEMBL5111220

SCHEMBL5111220

CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)N5CCN(C)CC5)n4Cc4ccccc43)cc2C)CCCC1O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.46
OXTR P30559 1/20 0.40
AVPR1A P37288 3/20 0.37
BRD4 O60885 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5119243 1.00 AVPR2 (0.46) AVPR2OXTRAVPR1ABRD4LMNA
SCHEMBL5143793 1.00 AVPR2 (0.46) AVPR2OXTRAVPR1ABRD4LMNA
SCHEMBL5105261 0.97 AVPR2 (0.45) AVPR2OXTRAVPR1ABRD4
SCHEMBL6191112 0.97 AVPR2 (0.45) AVPR2OXTRAVPR1ABRD4
SCHEMBL5117936 0.90 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL5117311 0.90 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL5785161 0.84 AVPR2 (0.54) AVPR2OXTRAVPR1A
SCHEMBL6233459 0.84 AVPR2 (0.48) AVPR2OXTRAVPR1A
SCHEMBL5106699 0.83 AVPR2 (0.49) AVPR2OXTRAVPR1A
SCHEMBL5784375 0.83 AVPR2 (0.51) AVPR2OXTRAVPR1A

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 9 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 claimed
EP-1377585-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-01-02 US claimed
WO-2002083682-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-7326700-B2 Cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2008-02-05 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-1377585-A1 NOVEL 10-CYCLOHEXENYL-PHENYL PYRROLOBENZODIAZEPINE-3-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-01-02 US 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

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-20030004159-A1 Novel cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 38/4885OXTR 1/4885AVPR1A 23/4885

“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.