Histrelin

Histrelin

SCHEMBL1650282

CCNC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(Cc1cn(Cc2ccccc2)cn1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CO)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCC(=O)N1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

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

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GNRHR known ✓ P30968 2/20 0.67
ABCC2 Q92887 1/20 0.67
PTGS1 P23219 1/20 0.62
C5AR1 P21730 2/20 0.56
APLNR P35414 4/20 0.53
CXCR4 P61073 1/20 0.50

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
Histrelin SCHEMBL22288995 1.00 GNRHR (0.67) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL19459949 0.99 ABCC2 (0.68) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL27724983 0.98 GNRHR (0.65) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL28130915 0.98 ABCC2 (0.66) GNRHRABCC2PTGS1C5AR1APLNR
Histrelin SCHEMBL28869225 0.97 ABCC2 (0.65) GNRHRABCC2PTGS1C5AR1APLNR
SCHEMBL28672062 0.96 GNRHR (0.61) GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL25353366 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL172917 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Leuprolide SCHEMBL14190828 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR
Deslorelin SCHEMBL29350981 0.94 GNRHR (0.74) GNRHRABCC2PTGS1C5AR1APLNR

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 18 patents. 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-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US 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
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-7741277-B2 Conjugates of disorazoles and their derivatives with cell-binding molecules, novel disorazole derivatives, processes of manufacturing and uses thereof AETERNA ZENTARIS GMBH (DE) 2010-06-22 US disclosed
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 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-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 (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-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 1196/4885ABCC2 1937/4885PTGS1 4556/4885
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 1196/4885ABCC2 1937/4885PTGS1 4556/4885
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 1196/4885ABCC2 1937/4885PTGS1 4556/4885

“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.