SCHEMBL5118219

SCHEMBL5118219

O=C(c1ccc(C2CCCCC2)cc1)N1Cc2cccn2Cc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.68
AVPR2 P30518 7/20 0.68

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
SCHEMBL6631147 0.87 AVPR1A (0.54) AVPR1AAVPR2
SCHEMBL5628979 0.86 AVPR1A (0.53) AVPR1AAVPR2
SCHEMBL5628982 0.86 AVPR1A (0.50) AVPR1AAVPR2
SCHEMBL5627248 0.84 AVPR1A (0.48) AVPR1AAVPR2
SCHEMBL13403212 0.83 AVPR1A (0.85) AVPR1AAVPR2
SCHEMBL5124926 0.83 AVPR1A (0.47) AVPR1AAVPR2
SCHEMBL7332293 0.82 AVPR1A (0.83) AVPR1AAVPR2
SCHEMBL8944367 0.82 AVPR2 (0.62) AVPR1AAVPR2
SCHEMBL6068819 0.81 AVPR1A (0.77) AVPR1AAVPR2
SCHEMBL6624843 0.81 AVPR1A (0.77) AVPR1AAVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US claimed
EP-1381608-B1 CYCLOHEXYLPHENYL VASOPRESSIN AGONISTS WYETH CORP (US) 2007-10-10 EP claimed
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders WYETH (US) 2002-12-26 US claimed
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US disclosed
US-7329653-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2008-02-12 US disclosed
US-7202239-B2 Cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2007-04-10 US disclosed
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-08-17 US disclosed
US-7053083-B2 Cyclohexylphenyl vasopressin agonists WYETH (US) 2006-05-30 US disclosed
EP-1377582-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH 2003-02-06 US disclosed
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders WYETH (US) 2002-12-26 US disclosed
WO-2002085907-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-31 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 (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-20030027815-A1 Novel cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists OXTR, OPRL1, CRHR2 AVPR1A 41/4885AVPR2 49/4885
US-20020198191-A1 Medicine for inducing temporary delay of urination or treatment of disorders of diabetes insipidus, nocturnal enuresis, nocturia, urinary incontinence, or bleeding and coagulation disorders F2, AVPR2, SHBG AVPR1A 6/4885AVPR2 2/4885
US-20060183734-A1 Cyclohexylphenyl vasopressin agonists AVPR2, AVPR1A, AVPR1B AVPR1A 2/4885AVPR2 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.