SCHEMBL1921332

SCHEMBL1921332

COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
TAS1R3 Q7RTX0 4/20 0.60
TAS1R1 Q7RTX1 4/20 0.60
MAPK1 P28482 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HCRTR1 O43613 1/20 0.59
NPBWR1 P48145 1/20 0.58
MCHR1 Q99705 1/20 0.58
LNPEP Q9UIQ6 1/20 0.57
ERAP2 Q6P179 1/20 0.56
TACR1 P25103 3/20 0.56

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
SCHEMBL13606614 1.00 NPC1 (0.62) NPC1RAB9ATAS1R3TAS1R1MAPK1
SCHEMBL1921333 1.00 NPC1 (0.62) NPC1RAB9ATAS1R3TAS1R1MAPK1
SCHEMBL13606613 0.91 SMN1; SMN2 (0.58) NPC1RAB9AMAPK1SMN1; SMN2MEN1
SCHEMBL3846689 0.91 SMN1; SMN2 (0.58) NPC1RAB9AMAPK1SMN1; SMN2MEN1
SCHEMBL3846684 0.91 SMN1; SMN2 (0.58) NPC1RAB9AMAPK1SMN1; SMN2MEN1
SCHEMBL18620488 0.85 KMT2A (0.64) SMN1; SMN2MEN1KMT2AHCRTR1NPBWR1
SCHEMBL20356918 0.85 KMT2A (0.64) SMN1; SMN2MEN1KMT2AHCRTR1NPBWR1
SCHEMBL22292158 0.85 KMT2A (0.64) SMN1; SMN2MEN1KMT2AHCRTR1NPBWR1
SCHEMBL7976134 0.83 SMN1; SMN2 (0.58) MAPK1SMN1; SMN2MEN1KMT2AHCRTR1
SCHEMBL7990269 0.82 MAPK1 (0.53) NPC1RAB9AMAPK1SMN1; SMN2MEN1

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
EP-0828479-B1 METHOD OF PRODUCING A SOLID DISPERSION OF A POORLY WATER SOLUBLE DRUG ICOS CORP (US) 2001-10-24 EP disclosed
EP-1113800-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2001-07-11 EP disclosed
WO-2000015228-A1 COMBINATIONS OF TETRACYCLIC CYCLIC GMP-SPECIFIC PHOSPHODIESTERASE INHIBITORS WITH FURTHER THERAPEUTIC AGENTS ICOS CORPORATION (US) 2000-03-23 WO 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 NPC1 2641/4885RAB9A 1901/4885TAS1R3 1142/4885

“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.