SCHEMBL7016555

SCHEMBL7016555

O=C(c1ccc(-c2ccccc2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00

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
SCHEMBL6291222 0.90 PDE5A (1.00) PDE5A
SCHEMBL6221521 0.86 PDE5A (0.75) PDE5A
SCHEMBL9928813 0.85 PDE5A (0.73) PDE5A
SCHEMBL5789197 0.85 PDE5A (0.73) PDE5A
SCHEMBL6408989 0.82 PDE5A (1.00) PDE5A
SCHEMBL5789759 0.82 PDE5A (0.69) PDE5A
SCHEMBL6641274 0.82 PDE5A (0.88) PDE5A
SCHEMBL5789760 0.81 PDE5A (0.68) PDE5A
SCHEMBL6075093 0.81 PDE5A (0.68) PDE5A
SCHEMBL6409611 0.80 PDE5A (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase SUI ZHIHUA (US) 2003-09-04 US claimed
US-6492358-B2 FOR TREATMENT OF SEXUAL DISORDERS, MALE ERECTILE DYSFUNCTION ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-10 US claimed
US-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US claimed

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-20020010189-A1 beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PDE5A 2/4885
US-20030166641-A1 Beta-carboline derivatives useful as inhibitors of phosphodiesterase PDE3B, PDE5A, PDE3A PDE5A 2/4885

“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.