SCHEMBL6207413

SCHEMBL6207413

CC1=C(c2ccc(C(=O)N3Cc4ccc(C(=O)N(C)c5cccnc5C)n4Cc4ccccc43)cc2C)CCC[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.38
AVPR2 P30518 13/20 0.35
OXTR P30559 1/20 0.31
IDH1 O75874 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5117936 0.84 AVPR2 (0.43) AVPR1AAVPR2
SCHEMBL5117311 0.84 AVPR2 (0.43) AVPR1AAVPR2
SCHEMBL5119243 0.81 AVPR2 (0.46) AVPR1AAVPR2OXTR
SCHEMBL5143793 0.81 AVPR2 (0.46) AVPR1AAVPR2OXTR
SCHEMBL5111220 0.81 AVPR2 (0.46) AVPR1AAVPR2OXTR
SCHEMBL5105261 0.78 AVPR2 (0.45) AVPR1AAVPR2OXTR
SCHEMBL6191112 0.78 AVPR2 (0.45) AVPR1AAVPR2OXTR
SCHEMBL6207415 0.78 AVPR2 (0.39) AVPR1AAVPR2OXTRPOLBHSD17B10
SCHEMBL6208907 0.77 AVPR1A (0.37) AVPR1AAVPR2OXTRPOLBHSD17B10
SCHEMBL6068860 0.75 AVPR1A (0.57) AVPR1AAVPR2OXTR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381607-B1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2005-10-26 EP claimed
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 claimed
EP-1381607-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-21 EP claimed
US-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
WO-2002083684-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPI NE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
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-1381607-A1 NOVEL PYRIDINE- AND CYCLOHEXENYL-COMPRISING PYRROLOBENZODIAZEPINE-CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-21 EP disclosed
US-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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

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-20030055046-A1 Novel pyrido cyclohexenyl phenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, PRLHR AVPR1A 59/4885AVPR2 74/4885OXTR 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.