SCHEMBL4246900

SCHEMBL4246900

C[S+]([O-])COc1ccc(F)c2c1C1(CCCCC1)NC(=O)N2

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 20/20 0.53
PDE4D Q08499 15/20 0.53
PDE1A P54750 11/20 0.53
PDE1B Q01064 11/20 0.53
PDE1C Q14123 11/20 0.53
PDE7B Q9NP56 4/20 0.53
PDE5A O76074 4/20 0.53
PDE3A Q14432 4/20 0.49

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
SCHEMBL5510700 0.89 PDE7A (0.41) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL4246621 0.88 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL4246426 0.87 PDE7A (0.71) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5104838 0.82 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5116939 0.81 PDE7A (0.72) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5115313 0.79 PDE7A (0.57) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL2680154 0.76 PDE7A (0.55) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL3952083 0.76 PDE7A (0.50) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL291618 0.74 PDE7A (0.53) PDE7APDE4DPDE1APDE1BPDE1C
SCHEMBL5103345 0.74 PDE7A (0.51) PDE7APDE4DPDE1APDE1BPDE1C

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
US-7429598-B2 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2008-09-30 US claimed
US-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY LLC 2004-06-03 US claimed
EP-1400244-A1 New spirocondensed quinazolinones and their use as phosphodiesterase inhibitors Warner-Lambert Company LLC (US) 2004-03-24 EP claimed
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER INC. 2009-04-30 US disclosed
US-7429598-B2 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY (US) 2008-09-30 US disclosed
EP-1855686-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN Pfizer Limited (GB) 2007-11-21 EP disclosed
WO-2006092691-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PFIZER LIMITED (GB) 2006-09-08 WO disclosed
US-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors WARNER-LAMBERT COMPANY LLC 2004-06-03 US disclosed
EP-1400244-A1 New spirocondensed quinazolinones and their use as phosphodiesterase inhibitors Warner-Lambert Company LLC (US) 2004-03-24 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-20040106631-A1 Spirocondensed quinazolinones and their use as phosphodiesterase inhibitors PDE3A, PDE5A, PDE3B PDE7A 21/4885PDE4D 12/4885PDE1A 29/4885
US-20090111837-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF NEUROPATHIC PAIN PDE7A, PDE7B, PDE3A PDE7A 1/4885PDE4D 12/4885PDE1A 17/4885

“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.