SCHEMBL1921589

SCHEMBL1921589

CCOC(=O)C1Cc2c([nH]c3ccccc23)C(c2ccc(C)cc2)N1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.80
KDM4E B2RXH2 4/20 0.71
ALDH1A1 P00352 3/20 0.71
CYP2D6 P10635 3/20 0.61
MAPK1 P28482 2/20 0.61
TSHR P16473 2/20 0.61
PDE5A O76074 5/20 0.59
HSD17B10 Q99714 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 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
SCHEMBL1921626 0.90 KDM4E (0.66) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1520461 0.89 CCKBR (1.00) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1921741 0.89 KDM4E (0.65) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1921543 0.88 KDM4E (0.64) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL7413251 0.87 CCKBR (0.61) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1921371 0.87 KDM4E (0.63) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL28127168 0.86 ALDH1A1 (0.77) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1921587 0.85 KDM4E (0.66) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL1921530 0.85 KDM4E (0.65) CCKBRKDM4EALDH1A1CYP2D6MAPK1
SCHEMBL15384065 0.84 KDM4E (0.74) CCKBRKDM4EALDH1A1CYP2D6MAPK1

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 9 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
EP-2036560-A1 (6R,12aR)-2,3,6,7,12,12a-hexahydro-2-methyl-6-(3,4-methylenedioxyphenyl)-pyrazino[2',1':6,1]pyrido[3,4-b]indole-1,4-dione for the treatment of benign prostatic hypertrophy ICOS Corporation (US) 2009-03-18 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-6143746-A Combination of tadalafil and another drug for cGMP-specific PDE inhibition; erectile dysfunction, cardiovascular disorders ICOS CORPORATION (US) 2000-11-07 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 1367/4885KDM4E 3129/4885ALDH1A1 259/4885

“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.