SCHEMBL6629620

SCHEMBL6629620

CCc1c([N+](=O)[O-])c(C(N)=O)nn1CC1CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
SRC P12931 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 1/20 0.31
RET P07949 1/20 0.30

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
SCHEMBL6442557 0.84 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MAPTPDE4APDE4B
SCHEMBL6806280 0.83 HRH1 (0.39) SMN1; SMN2KCNH2
SCHEMBL27492967 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCNR1CNR2
SCHEMBL6629342 0.81 MEN1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL6806899 0.81 MEN1 (0.36) SMN1; SMN2ALDH1A1
SCHEMBL6776697 0.80 SRC (0.38) ALDH1A1MAPTSRCKCNH2PDE4A
SCHEMBL6811222 0.79 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1MAPTCNR1CNR2
SCHEMBL3579847 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTCNR1CNR2
SCHEMBL6629463 0.77 SMN1; SMN2 (0.49) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL6200618 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MAPTCNR1CNR2

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
EP-1368352-B1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LTD (GB) 2004-12-01 EP disclosed
US-6770645-B2 SEXUAL DISORDERS THERAPY; ANTIALLERGENS; RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2004-08-03 US disclosed
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed
EP-1368352-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2003-12-10 EP disclosed
US-20030064990-A1 Pharmaceutically active compounds PFIZER INC. 2003-04-03 US disclosed
CN-1378547-A 5-(2-substituted-5-heterocyclylsulphenylpyrid-3-yl)-dihydropyrazolo [4,3-d] pyrimidin 7-ones as phosphodiesterase inhibitors PFIZER LTD (US) 2002-11-06 CN disclosed
WO-2002074774-A1 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2002-09-26 WO disclosed
EP-1222190-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS Pfizer Limited (GB) 2002-07-17 EP disclosed
WO-2001027112-A1 5-(2-SUBSTITUTED-5-HETEROCYCLYLSULPHONYLPYRID-3-YL)-DIHYDROPYRAZOLO[4,3-D]PYRIMIDIN-7-ONES AS PHOSPHODIESTERASE INHIBITORS PFIZER LIMITED (GB) 2001-04-19 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-20030064990-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A SMN1; SMN2 2159/4885OPRM1 1604/4885OPRD1 758/4885

“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.