SCHEMBL2508073

SCHEMBL2508073

c1ccc(CN2CCc3c([nH]c4ccccc34)C2c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.75
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
L3MBTL1 Q9Y468 2/20 0.75
PDE5A O76074 7/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
KIF11 P52732 2/20 0.54
HTT P42858 1/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL5527250 1.00 MAPT (0.75) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL6407258 0.86 PDE5A (0.63) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL6074444 0.86 PDE5A (0.63) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL6407697 0.86 PDE5A (0.67) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL5530176 0.86 PDE5A (0.67) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL14599798 0.83 PDE5A (0.62) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL5528565 0.81 PDE5A (0.61) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL6407252 0.79 PDE5A (0.60) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL8402841 0.77 KIF11 (0.69) MAPTMEN1KMT2AL3MBTL1PDE5A
SCHEMBL6409785 0.77 PDE5A (0.79) PDE5A

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
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES UNIVERSIDAD DE TALCA (CL) 2011-10-06 US disclosed
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MAPT 3888/4885MEN1 3847/4885KMT2A 3106/4885
US-20110245503-A1 ENANTIOSELECTIVE SYNTHESIS OF ASYMMETRIC BETA-CARBOLINE INTERMEDIATES PDE1B, PDE3B, PDE1A MAPT 4704/4885MEN1 371/4885KMT2A 1903/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MAPT 3924/4885MEN1 3647/4885KMT2A 3200/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B MAPT 3924/4885MEN1 3647/4885KMT2A 3200/4885

“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.