SCHEMBL5490934

SCHEMBL5490934

CCOc1cc2c(cc1OCC)N(CC(=O)O)C(=O)CN=C2c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.51
RAB9A P51151 1/20 0.51
ATM Q13315 1/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 5/20 0.51
TP53 P04637 5/20 0.51
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MCL1 Q07820 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
THRB P10828 1/20 0.46
OPRK1 P41145 2/20 0.44
NR1I2 O75469 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
OPRM1 P35372 1/20 0.44
GABRA1 P14867 3/20 0.44
GABRG2 P18507 3/20 0.44

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
SCHEMBL5497041 0.89 TP53 (0.47) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL5490309 0.86 TP53 (0.58) SMN1; SMN2MAPTTP53NPSR1OPRK1
SCHEMBL5489931 0.83 GABRA1 (0.61) CYP3A4OPRK1GABRA1GABRG2GABRB3
SCHEMBL5042493 0.83 PDE2A (0.47) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL5037636 0.81 GABRA1 (0.49) SMN1; SMN2RAB9AATMKDM4EMAPT
SCHEMBL5489020 0.80 PDE2A (0.58) MAPTTP53CYP3A4OPRK1GABRA1
SCHEMBL8672792 0.79 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2RAB9AATMKDM4E
SCHEMBL5489965 0.79 TP53 (0.52) MAPTTP53NPSR1OPRK1NR1I2
SCHEMBL4709453 0.78 GABRA1 (0.49) SMN1; SMN2CYP1A2RAB9AATMKDM4E
SCHEMBL4710627 0.78 PDE2A (0.67) SMN1; SMN2CYP1A2RAB9AATMKDM4E

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 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 SMN1; SMN2 2918/4885CYP1A2 155/4885RAB9A 1379/4885

“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.