SCHEMBL6638544

SCHEMBL6638544

CCc1nn(C2CCCC2)c2c1CCNC2=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.54
PDE4B Q07343 17/20 0.54
PDE4D Q08499 17/20 0.54
PDE4C Q08493 16/20 0.54
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CTSK P43235 1/20 0.32

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
SCHEMBL7369320 0.84 PDE4A (0.48) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL18909742 0.81 PDE7A (0.37) PDE4APDE4BPDE4DPDE4CHTR2A
SCHEMBL18683207 0.78 HTR2A (0.36) PDE4APDE4BPDE4DPDE4CHTR2A
SCHEMBL7374352 0.71 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376901 0.70 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7395757 0.69 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6637350 0.69 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14455896 0.69 PDE4A (0.84) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376871 0.68 PDE4A (0.60) PDE4APDE4BPDE4DPDE4C
SCHEMBL14028559 0.68 PDE4A (0.45) PDE4APDE4BPDE4DPDE4CADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380585-A1 Pyrazolopyridinone Pfizer Products Inc. (US) 2004-01-14 EP disclosed
EP-1048667-B1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PROD INC (US) 2003-10-22 EP disclosed
EP-0837860-B1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO(3,4-c]-1,2,4-TRIAZOLO(4,3-ALPHA]PYRIDINES PFIZER (US) 2002-03-20 EP disclosed
US-6326495-B2 HEATING A MIXTURE OF CAPROLACTONE AND P-METHOXYBENZYLAMINE; CYCLIZATION PFIZER INC. 2001-12-04 US disclosed
US-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PRODUCTS INC. 2001-11-08 US disclosed
EP-1048667-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein Pfizer Products Inc. (US) 2000-11-02 EP disclosed
US-6004974-A PHOSPHODIESTERASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AND ANTIASTHMA AGENTS PFIZER INC (US) 1999-12-21 US disclosed
EP-0837860-A1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO 3,4-c]-1,2,4-TRIAZOLO 4,3-$g(a)]PYRIDINES PFIZER INC. (US) 1998-04-29 EP disclosed
EP-0787132-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1997-08-06 EP disclosed
WO-1996039408-A1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO[3,4-c]-1,2,4-TRIAZOLO[4,3-α]PYRIDINES PFIZER INC. (US) 1996-12-12 WO disclosed
WO-1996012720-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES AND THEIR USE AS MEDICAMENTS PFIZER INC. (US) 1996-05-02 WO disclosed
EP-0707585-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1996-04-24 EP disclosed
WO-1995001980-A1 BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES PFIZER INC. (US) 1995-01-19 WO 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-20010039347-A1 Process for preparing 8-cyclopentyl-6-ethyl-3-[substituted]-5,8-dihydro-4h-1,2,3a,7,8-pentaaza-as-indacenes and intermediates useful therein ADH1A, ADH1C, OTC PDE4A 1915/4885PDE4B 2742/4885PDE4D 3155/4885

“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.