SCHEMBL5484469

SCHEMBL5484469

COc1cc2c(cc1OC)C(c1ccc(-c3cccc(C(F)(F)F)c3)cc1)=NN(C)C(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
PDGFRB P09619 1/20 0.41
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL6626258 0.96 NR1H4 (0.43) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5486696 0.91 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5490322 0.85 CYP1A2 (0.46) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5486160 0.85 MAPK1 (0.46) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5492933 0.82 TDP2 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5484921 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5492316 0.82 ALDH1A1 (0.53) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5488285 0.81 TDP2 (0.46) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5493764 0.81 MAPK1 (0.49) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19
SCHEMBL5484416 0.81 CYP11B1 (0.47) CYP1A2CYP3A4CYP2C9MAPK1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US claimed
US-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 US disclosed
EP-1392663-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2004-03-03 EP disclosed
WO-2002098865-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES THEREOF NEURO3D (FR) 2002-12-12 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A CYP1A2 155/4885CYP3A4 264/4885CYP2C9 206/4885

“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.