SCHEMBL6207696

SCHEMBL6207696

COc1cc(C2=CCCCC2)c(Cl)cc1C(=O)N1Cc2ccc(C(=O)N(C)Cc3cccnc3)n2Cc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 3/20 0.39
AVPR2 P30518 11/20 0.38
GFER P55789 2/20 0.34
AVPR1A P37288 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
Cadaverine Tartrate SCHEMBL6235311 0.96 AVPR2 (0.37) PDK1AVPR2GFERAVPR1AGPBAR1
SCHEMBL5891221 0.89 AVPR2 (0.40) PDK1AVPR2GFERAVPR1AGPBAR1
SCHEMBL5890683 0.88 AVPR2 (0.39) PDK1AVPR2AVPR1AGPBAR1
SCHEMBL5891239 0.86 PDK1 (0.39) PDK1AVPR2GFERAVPR1A
SCHEMBL5106745 0.86 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL5891272 0.85 AVPR2 (0.37) PDK1AVPR2GFER
SCHEMBL6475611 0.85 AVPR2 (0.40) AVPR2AVPR1AGPBAR1
SCHEMBL5104645 0.83 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL6476400 0.81 AVPR2 (0.36) AVPR2AVPR1AGPBAR1
SCHEMBL5891270 0.81 AVPR2 (0.39) PDK1AVPR2GFERAVPR1A

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 7 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-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 PDK1 221/4885AVPR2 74/4885GFER 1169/4885

“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.