SCHEMBL1921864

SCHEMBL1921864

CCOc1ccc(C2NC(C(=O)OC)Cc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.76
PDE5A O76074 5/20 0.67
KDM4E B2RXH2 4/20 0.63
TSHR P16473 2/20 0.63
HSD17B10 Q99714 2/20 0.63
HTT P42858 1/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP2D6 P10635 3/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
MAPK1 P28482 1/20 0.57
ALDH1A1 P00352 4/20 0.56
ALOX12 P18054 1/20 0.55
CYP2C19 P33261 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL21309816 1.00 CCKBR (0.76) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921747 0.89 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1922130 0.89 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967991 0.89 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL12967653 0.89 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL16489369 0.89 CCKBR (0.82) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL28514835 0.88 CCKBR (0.70) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1196140 0.88 CCKBR (0.61) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921513 0.88 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10
SCHEMBL1921528 0.87 CCKBR (0.85) CCKBRPDE5AKDM4ETSHRHSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2327408-A1 Tetracyclic cyclic gmp-specific phosphodiesterase inhibitors for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2011-06-01 EP disclosed
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use ICOS CORPORATION 2002-08-29 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-6127542-A CHEMICAL INTERMEDIATES TO SPECIFIED PYRAZINO(2',1':6,1)PYRIDO(3,4B)INDOLE-1,4-DIONES WHICH ARE SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE; TO TREAT CARDIOVASCULAR DISORDERS ICOS CORPORATION (US) 2000-10-03 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed
EP-0740668-B1 TETRACYCLIC DERIVATIVES, PROCESS OF PREPARATION AND USE ICOS CORP (US) 1998-07-29 EP 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-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A CCKBR 1367/4885PDE5A 5/4885KDM4E 3129/4885

“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.