SCHEMBL1923249

SCHEMBL1923249

COC(=O)c1ccc(C2NC(C(=O)O)Cc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.74
TSHR P16473 2/20 0.74
MAPK1 P28482 1/20 0.74
MEN1 O00255 3/20 0.69
ALDH1A1 P00352 3/20 0.69
KMT2A Q03164 3/20 0.69
ALOX12 P18054 1/20 0.69
KDM4E B2RXH2 4/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CCKBR P32239 2/20 0.67
HSD17B10 Q99714 2/20 0.60
ALOX15 P16050 1/20 0.60
PDE5A O76074 3/20 0.59
HDAC1 Q13547 4/20 0.58
HDAC6 Q9UBN7 4/20 0.58
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.55

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
Hydrochloric Acid SCHEMBL28619932 0.99 CYP2D6 (0.73) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL13402897 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL3481234 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL3482031 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL13402856 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL32689430 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL3482943 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL13402901 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
SCHEMBL8167872 0.91 CCKBR (0.80) CYP2D6TSHRMAPK1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL28616463 0.90 CCKBR (0.78) CYP2D6TSHRMAPK1MEN1ALDH1A1

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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives OSI PHARMACEUTICALS, INC. 2002-03-21 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-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 (2 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-20020035111-A1 Method of inhibiting neoplastic cells with tetracyclic pyrido[3,4-B] indole derivatives MKI67, PNPO, CDK4 CYP2D6 2576/4885TSHR 2550/4885MAPK1 2496/4885
US-20020119976-A1 Tetracyclic derivatives, process of preparation and use PDE3A, PDE3B, PDE2A CYP2D6 73/4885TSHR 508/4885MAPK1 452/4885

“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.