Detirelix Acetate

Detirelix Acetate

SCHEMBL635713

CC(=O)O.CC(=O)O.CC/N=C(\NCC)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

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR known ✓ P30968 7/20 0.70
ABCB11 O95342 1/20 0.65
DRD1 P21728 1/20 0.64
OPRM1 P35372 1/20 0.64
MRGPRX2 Q96LB1 1/20 0.64
CXCL8 P10145 1/20 0.56
NMUR2 Q9GZQ4 4/20 0.55
NMUR1 Q9HB89 4/20 0.55
KISS1R Q969F8 3/20 0.55
ABCC2 Q92887 1/20 0.55

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 SCHEMBL29406059 0.99 GNRHR (0.68) GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL29893517 0.99 GNRHR (0.68) GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL422026 0.99 GNRHR (0.68) GNRHRABCB11DRD1OPRM1MRGPRX2
Acetic Acid SCHEMBL719624 0.96 GNRHR (0.64) GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL32670260 0.95 GNRHR (0.74) GNRHRABCB11DRD1OPRM1MRGPRX2
Detirelix Acetate SCHEMBL722712 0.95 GNRHR (0.74) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL11099432 0.89 KISS1R (0.63) GNRHRABCB11DRD1OPRM1MRGPRX2
SCHEMBL11207519 0.87 GNRHR (0.61) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL29390389 0.86 GNRHR (0.89) GNRHRABCB11DRD1OPRM1MRGPRX2
Ganirelix SCHEMBL13625244 0.86 GNRHR (0.89) GNRHRABCB11DRD1OPRM1MRGPRX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20030125528-A1 Process for preparing schiff base adducts of amines with o-hydroxy aldehydes and compositions of matter based thereon HAY BRUCE A (US) 2003-07-03 US claimed
EP-4706683-A2 CHEWABLE FORMULATIONS Elanco Tiergesundheit AG (CH) 2026-03-11 EP disclosed
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2026-02-05 US disclosed
US-12465564-B2 Oral and nasal compositions and methods of treatment AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-11 US disclosed
US-20250339367-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES AQUESTIVE THERAPEUTICS, INC. (US) 2025-11-06 US disclosed
US-12403090-B2 Oral film compositions and dosage forms having precise active dissolution profiles AQUESTIVE THERAPEUTICS, INC. (US) 2025-09-02 US disclosed
US-20250255780-A1 SYSTEM AND METHOD FOR MAKING PERSONALIZED INDIVIDUAL UNIT DOSES CONTAINING PHARMACEUTICAL ACTIVES AQUESTIVE THERAPEUTICS, INC. (US) 2025-08-14 US disclosed
US-12310922-B2 System and method for making personalized individual unit doses containing pharmaceutical actives AQUESTIVE THERAPEUTICS, INC. (US) 2025-05-27 US disclosed
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates LUITPOLD PHARMACEUTICALS, INC. 2001-05-31 US disclosed
EP-1087989-A1 IMPROVED PROCESS FOR PREPARING SCHIFF BASE ADDUCTS OF AMINES WITH O-HYDROXY ALDEHYDES AND COMPOSITIONS OF MATTER BASED THEREON Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-2000000507-A1 IMPROVED PROCESS FOR PREPARING SCHIFF BASE ADDUCTS OF AMINES WITH O-HYDROXY ALDEHYDES AND COMPOSITIONS OF MATTER BASED THEREON PFIZER PRODUCTS INC. (US) 2000-01-06 WO disclosed
WO-1999030690-A1 ORAL DELIVERY FORMULATION AXIA THERAPEUTICS, INC. (US) 1999-06-24 WO disclosed
EP-0909183-A2 DHA-PHARMACEUTICAL AGENT CONJUGATES Neuromedica, Inc. (US) 1999-04-21 EP disclosed
US-5795909-A ANTICARCINOGENIC AND ANTITUMOR AGENTS; BREAST, COLON, OVARIANCANCERS NEUROMEDICA, INC. (US) 1998-08-18 US disclosed
WO-1997044063-A2 DHA-PHARMACEUTICAL AGENT CONJUGATES NEUROMEDICA, INC. (US) 1997-11-27 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-20030125528-A1 Process for preparing schiff base adducts of amines with o-hydroxy aldehydes and compositions of matter based thereon OGDH, ALDH7A1, AOX1 GNRHR 4880/4885ABCB11 4836/4885DRD1 2500/4885
US-20010002404-A1 Fatty acid-pharmaceutical agent conjugates FABP7, FFAR2, FFAR4 GNRHR 1851/4885ABCB11 592/4885DRD1 2497/4885
US-20260034059-A1 ORAL FILM COMPOSITIONS AND DOSAGE FORMS HAVING PRECISE ACTIVE DISSOLUTION PROFILES SORD, SLC6A13, CACNA1A GNRHR 2387/4885ABCB11 1727/4885DRD1 514/4885

“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.