SCHEMBL6407817

SCHEMBL6407817

c1ccc2c3c([nH]c2c1)C(c1ccc2occc2c1)NCC3

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C19 P33261 1/20 0.61
DRD2 P14416 1/20 0.59
HTR2A P28223 5/20 0.54
HTR2C P28335 4/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PRMT5 O14744 5/20 0.50
EGFR P00533 3/20 0.49
MAPKAPK2 P49137 1/20 0.48
RAD52 P43351 1/20 0.47

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
SCHEMBL30274351 0.83 HTR2A (0.74) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL9940058 0.81 HTR7 (0.64) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL30274410 0.77 HTR7 (0.83) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL274149 0.77 HTR7 (1.00) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7489600 0.77 HTR7 (0.68) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7489301 0.77 HTR7 (0.68) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL1921751 0.76 CYP2D6 (0.67) CYP2D6CYP2C19MEN1KMT2A
SCHEMBL7492089 0.76 HTR7 (0.65) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL5790730 0.76 HTR7 (0.65) HTR7CYP3A4CYP2D6CYP2C19DRD2
SCHEMBL7491493 0.76 HTR7 (0.64) HTR7CYP3A4CYP2D6CYP2C19DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0912567-B1 CARBOLINE DERIVATIVES ICOS CORP (US) 2002-04-10 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
US-6306870-B1 PHOSPHODIESTERASE ENZYME INHIBITORS, CARDIOVASCULAR DISORDERS AND SEXUAL DISORDERS ICOS CORPORATION 2001-10-23 US disclosed
US-6117881-A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE ICOS CORPORATION (US) 2000-09-12 US disclosed
US-6043252-A A POTENT AND SELECTIVE INHIBITORS OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP-SPECIFIC PDE); TREATING CARDIOVASCULAR DISORDERS AND ERECTILE DYSFUNCTION ICOS CORPORATION (US) 2000-03-28 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 (3 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 HTR7 1769/4885CYP3A4 730/4885CYP2D6 485/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885CYP3A4 683/4885CYP2D6 456/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B HTR7 1742/4885CYP3A4 683/4885CYP2D6 456/4885

“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.