SCHEMBL6330816

SCHEMBL6330816

CCCOc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nc2c(CCC)n(CCN3CCOCC3)nc2c(=O)[nH]1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.68
PDE3B Q13370 1/20 0.64
PDE3A Q14432 1/20 0.64
PDE1A P54750 3/20 0.56
PDE1B Q01064 3/20 0.56
PDE1C Q14123 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
SCHEMBL6332560 0.94 PDE5A (0.62) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6331817 0.91 PDE5A (0.65) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6339775 0.87 PDE5A (0.61) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6332520 0.87 PDE5A (0.63) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL5596504 0.87 PDE5A (0.80) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6332848 0.86 PDE5A (0.61) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6340933 0.86 PDE5A (0.58) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6338901 0.85 PDE5A (0.58) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6332578 0.83 PDE5A (0.68) PDE5APDE3BPDE3A
SCHEMBL1190 0.83 PDE5A (0.90) PDE5APDE3BPDE3APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 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 (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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE3B 3/4885PDE3A 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.