Detirelix Acetate

Detirelix Acetate

SCHEMBL722712

CCNC(=NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NCC

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.74
DRD1 P21728 1/20 0.67
OPRM1 P35372 1/20 0.67
MRGPRX2 Q96LB1 1/20 0.67
ABCB11 O95342 1/20 0.66
ABCC2 Q92887 1/20 0.56
KISS1R Q969F8 2/20 0.54
NMUR2 Q9GZQ4 1/20 0.54
NMUR1 Q9HB89 1/20 0.54
CXCL8 P10145 1/20 0.54

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
Detirelix Acetate SCHEMBL32670260 1.00 GNRHR (0.74) GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL29406059 0.96 GNRHR (0.68) GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL422026 0.96 GNRHR (0.68) GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL29893517 0.96 GNRHR (0.68) GNRHRDRD1OPRM1MRGPRX2ABCB11
Detirelix Acetate SCHEMBL635713 0.95 GNRHR (0.70) GNRHRDRD1OPRM1MRGPRX2ABCB11
Acetic Acid SCHEMBL719624 0.92 GNRHR (0.64) GNRHRDRD1OPRM1MRGPRX2ABCB11
Cetrorelix SCHEMBL21174252 0.89 GNRHR (0.84) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11099432 0.89 KISS1R (0.63) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11207519 0.88 GNRHR (0.61) GNRHRDRD1OPRM1MRGPRX2ABCB11
SCHEMBL11200262 0.87 GNRHR (0.59) GNRHRDRD1OPRM1MRGPRX2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100323963-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-23 US claimed
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-16 US claimed
CN-101578287-A Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazoles derivatives, process for their preparation and their use AETERMA ZENTARIS GMBH (DE) 2009-11-11 CN claimed
EP-2066679-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2009-06-10 EP claimed
US-20080090758-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-04-17 US claimed
EP-1900742-A1 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AEterna Zentaris GmbH (DE) 2008-03-19 EP claimed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 WO claimed
US-8470776-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2013-06-25 US disclosed
US-20120053122-A1 METHOD FOR THE PROPHYLAXIS OR TREATMENT OF FLUSHING MAATSCHAP INTERNE GENEESKUNDE RIJNSTATE 2012-03-01 US disclosed
EP-2379099-A1 Method for the prophylaxis or treatment of flushing Maatschap Interne Geneeskunde Rijnstate (NL) 2011-10-26 EP disclosed
US-20100323963-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-23 US disclosed
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2010-12-16 US disclosed
WO-2010085145-A1 Method for the prophylaxis or treatment of flushing MAATSCHAP INTERNE GENEESKUNDE RIJNSTATE (NL) 2010-07-29 WO disclosed
EP-2066679-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AEterna Zentaris GmbH (DE) 2009-06-10 EP disclosed
US-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS AETERNA ZENTARIS GMBH (DE) 2009-03-19 US disclosed
WO-2008107446-A1 USE OF LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS, IN PARTICULAR OVERACTIVE BLADDER AND/OR DETRUSOR OVERACTIVITY ÆTERNA ZENTARIS GMBH (DE) 2008-09-12 WO disclosed
EP-1967202-A1 Use of LHRH Antagonists for the Treatment of Lower Urinary Tract Symptoms, in particular Overactive Bladder and/or Detrusor Overactivity AEterna Zentaris GmbH (DE) 2008-09-10 EP disclosed
US-20080090758-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-04-17 US disclosed
EP-1900742-A1 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AEterna Zentaris GmbH (DE) 2008-03-19 EP disclosed
WO-2008028934-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF AETERNA ZENTARIS GMBH (DE) 2008-03-13 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 (4 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-20090075937-A1 LHRH ANTAGONISTS FOR THE TREATMENT OF LOWER URINARY TRACT SYMPTOMS LHCGR, GNRHR, FSHR GNRHR 2/4885DRD1 2601/4885OPRM1 635/4885
US-20100323963-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS GNRHR 1196/4885DRD1 1499/4885OPRM1 4438/4885
US-20100317580-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS GNRHR 1196/4885DRD1 1499/4885OPRM1 4438/4885
US-20080090758-A1 CONJUGATES OF DISORAZOLES AND THEIR DERIVATIVES WITH CELL-BINDING MOLECULES, NOVEL DISORAZOLE DERIVATIVES, PROCESSES OF MANUFACTURING AND USES THEREOF EPCAM, CD99, PTMS GNRHR 1196/4885DRD1 1499/4885OPRM1 4438/4885

“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.