SCHEMBL2730698

SCHEMBL2730698

c1ccc2c(c1)-c1ccccc1C2COCC1c2ccccc2-c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
HTR2A P28223 2/20 0.56
KMT2A Q03164 2/20 0.45
FABP5 Q01469 3/20 0.44
FABP7 O15540 2/20 0.44
EPHX2 P34913 1/20 0.41
GPR3 P46089 1/20 0.39
POLB P06746 1/20 0.38
TDO2 P48775 1/20 0.37
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CHRM1 P11229 1/20 0.36
DRD1 P21728 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL1275884 0.87 CA1 (0.50) CA1CA2HTR2AKMT2AFABP5
SCHEMBL15436860 0.87 CA1 (0.50) CA1CA2HTR2AKMT2AFABP5
SCHEMBL1703198 0.83 CA1 (0.47) CA1CA2HTR2AKMT2AFABP5
SCHEMBL34473477 0.83 CA1 (0.47) CA1CA2HTR2AKMT2AFABP5
SCHEMBL9632441 0.83 TSHR (0.52) CA1CA2HTR2AKMT2AFABP5
SCHEMBL31370732 0.81 HTR2A (0.58) CA1CA2HTR2AKMT2AFABP5
SCHEMBL28050 0.81 HTR2A (0.58) CA1CA2HTR2AKMT2AFABP5
SCHEMBL4992955 0.81 CA1 (0.53) CA1CA2HTR2AKMT2AFABP5
SCHEMBL8131 0.81 CA1 (0.58) CA1CA2HTR2AKMT2AFABP5
SCHEMBL31501939 0.81 CA1 (0.53) CA1CA2HTR2AKMT2AFABP5

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
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 US claimed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 US claimed
US-9822146-B2 Process for the manufacture of degarelix and its intermediates FERRING B.V. (NL) 2017-11-21 US disclosed
EP-2632934-B1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-11-30 EP disclosed
EP-2632935-B1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-09-21 EP disclosed
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING BV (NL) 2016-05-26 US disclosed
US-9260480-B2 Process for the manufacture of Degarelix and its intermediates FERRING B.V. (NL) 2016-02-16 US disclosed
US-9090656-B2 Process for the manufacture of Degarelix and its intermediates FERRING B.V. (NL) 2015-07-28 US disclosed
US-20130281662-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING B.V. (NL) 2013-10-24 US disclosed
US-20130281661-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING B.V. (NL) 2013-10-24 US disclosed
EP-2632935-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES Ferring B.V. (NL) 2013-09-04 EP disclosed
WO-2012055903-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING B.V. (NL) 2012-05-03 WO disclosed
WO-2012055905-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES FERRING B.V. (NL) 2012-05-03 WO disclosed
EP-2447276-A1 Process for the manufacture of Degarelix and its intermediates Ferring B.V. (NL) 2012-05-02 EP disclosed
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1073668-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS Köster, Hubert (US) 2001-02-07 EP disclosed
WO-1999055718-A2 SOLUTION PHASE BIOPOLYMER SYNTHESIS KOESTER HUBERT (US) 1999-11-04 WO disclosed
WO-1991008190-A1 AMINO ACID PROTECTING GROUPS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1991-06-13 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CA1 1746/4885CA2 699/4885HTR2A 175/4885
US-20130281662-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, PM20D2, NGLY1 CA1 237/4885CA2 1812/4885HTR2A 2580/4885
US-20160145301-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES VIP, HABP2, DPP9 CA1 327/4885CA2 1960/4885HTR2A 4091/4885
US-20130281661-A1 PROCESS FOR THE MANUFACTURE OF DEGARELIX AND ITS INTERMEDIATES HM13, HABP2, DPP9 CA1 321/4885CA2 2259/4885HTR2A 3816/4885

“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.