Oxytocin

Oxytocin

SCHEMBL5111308

C1CCNCC1.CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.95

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OXTR

The experimentally established mechanism targets of Oxytocin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OXTR known ✓ P30559 11/20 0.95
▸ AVPR1A P37288 6/20 0.95
▸ AVPR2 P30518 5/20 0.95
▸ AVPR1B P47901 5/20 0.95

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
Oxytocin SCHEMBL5110121 0.98 OXTR (0.97) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL14085374 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL8370159 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL20707334 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL16373316 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL29048 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL1173243 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL21527573 0.97 OXTR (1.00) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL2126148 0.96 OXTR (0.97) OXTRAVPR1AAVPR2AVPR1B
Oxytocin SCHEMBL1661474 0.95 OXTR (0.96) OXTRAVPR1AAVPR2AVPR1B

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 38 patents — showing the first 20. 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-7202239-B2 Cyclohexylphenyl carboxamides tocolytic oxytocin receptor antagonists WYETH (US) 2007-04-10 — — US disclosed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 — — US disclosed
CN-1273469-C Tricyclic diazepines as tocolytic oxytocin receptor antagonists WYETH CORP (US) 2006-09-06 — — CN disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 — — US disclosed
US-7022699-B2 Cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators WYETH (US) 2006-04-04 — — US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 — — EP 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-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-2002085907-A1 NOVEL 3-C(O)R SUBSTITUTED 10-CYCLOHEXYLBENZOYL PYRROLOBENZODIAZEPINES; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-31 — — WO 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-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 — — WO disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 — — WO disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 — — WO disclosed
WO-2002083679-A1 NOVEL HYDROXY CYCLOHEXENYL PHENYL CARBOXAMIDES 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
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 (2 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 OXTR 1/4885AVPR1A 21/4885AVPR2 46/4885
US-20020198196-A1 Novel cyclohexenyl phenyl diazepines vasopressin and oxytocin receptor modulators OXTR, AVPR2, AVPR1B OXTR 1/4885AVPR1A 4/4885AVPR2 2/4885

“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.

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