SCHEMBL6827800

SCHEMBL6827800

CC(NC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cc2ccccc2o1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00

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
SCHEMBL7847110 1.00 TACR1 (1.00) TACR1
SCHEMBL29870363 1.00 TACR1 (1.00) TACR1
SCHEMBL2139814 1.00 TACR1 (1.00) TACR1
SCHEMBL8790098 0.92 TACR1 (0.84) TACR1
SCHEMBL7062350 0.87 TACR1 (0.76) TACR1
SCHEMBL7062087 0.86 TACR1 (0.76) TACR1
SCHEMBL8504774 0.86 TACR1 (0.75) TACR1
SCHEMBL8101033 0.85 TACR1 (0.78) TACR1
SCHEMBL9387393 0.85 TACR1 (0.81) TACR1
SCHEMBL8203286 0.85 TACR1 (0.81) TACR1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1221950-B1 SYNERGISTIC COMBINATIONS OF AN NK1 RECEPTOR ANTAGONIST AND A GABA STRUCTURAL ANALOG WARNER LAMBERT CO (US) 2004-06-16 EP claimed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US claimed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP claimed
WO-2001091736-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY (US) 2001-12-06 WO claimed
US-5998435-A ADMINISTERING A CARBAMIC ESTER OF BENZOFIRAN-2-METHYL ESTER WARNER-LAMBERT COMPANY (US) 1999-12-07 US claimed
EP-0912173-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1999-05-06 EP claimed
WO-1997049393-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1997-12-31 WO claimed
EP-1221950-B1 SYNERGISTIC COMBINATIONS OF AN NK1 RECEPTOR ANTAGONIST AND A GABA STRUCTURAL ANALOG WARNER LAMBERT CO (US) 2004-06-16 EP disclosed
US-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic DOOLEY DAVID JAMES (US) 2003-12-18 US disclosed
EP-1289558-A2 COMBINATIONS OF AN ENDOTHELIN RECEPTOR ANTAGONIST AND AN ANTIEPILEPTIC COMPOUND HAVING PAIN ALLEVIATING PROPERTIES OR ANALGESIC WARNER-LAMBERT COMPANY LLC (US) 2003-03-12 EP disclosed
WO-2001024792-A9 SYNERGISTIC COMBINATIONS OF AN NK1 RECEPTOR ANTAGONIST AND A GABA STRUCTURAL ANALOG WARNER LAMBERT CO (US) 2002-09-06 WO disclosed
EP-1233766-A1 USE OF SYNERGISTIC COMBINATIONS OF A NK 1? RECEPTOR ANTAGONIST AND A GABA ANALOG IN PSYCHIATRIC DISORDERS WARNER-LAMBERT COMPANY (US) 2002-08-28 EP disclosed
EP-1221950-A1 SYNERGISTIC COMBINATIONS OF AN NK 1? RECEPTOR ANTAGONIST AND A GABA STRUCTURAL ANALOG WARNER-LAMBERT COMPANY (US) 2002-07-17 EP disclosed
WO-2001024791-A1 USE OF SYNERGISTIC COMBINATIONS OF A NK1 RECEPTOR ANTAGONIST AND A GABA ANALOG IN PSYCHIATRIC DISORDERS WARNER-LAMBERT COMPANY (US) 2001-04-12 WO disclosed
WO-2001024792-A1 SYNERGISTIC COMBINATIONS OF AN NK1 RECEPTOR ANTAGONIST AND A GABA STRUCTURAL ANALOG WARNER-LAMBERT COMPANY (US) 2001-04-12 WO disclosed
US-5998435-A ADMINISTERING A CARBAMIC ESTER OF BENZOFIRAN-2-METHYL ESTER WARNER-LAMBERT COMPANY (US) 1999-12-07 US disclosed
EP-0912173-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1999-05-06 EP disclosed
EP-0912173-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1999-05-06 EP disclosed
WO-1997049393-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1997-12-31 WO disclosed
WO-1997049393-A1 USE OF A TACHYKININ ANTAGONIST FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF EMESIS WARNER-LAMBERT COMPANY (US) 1997-12-31 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 (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-20030232787-A1 Combinations of an endothelin receptor antagonist and an antiepileptic compound having pain alleviating properties or analgesic EDNRA, EDNRB, ECE1 TACR1 6/4885

“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.