SCHEMBL3606553

SCHEMBL3606553

COc1ccc(-c2ccn(CC(=O)C3NCCc4ccccc43)n2)cc1OC1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
SLC18A2 Q05940 1/20 0.36
ROCK2 O75116 1/20 0.35
PDE4D Q08499 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL3607568 0.81 PDE4B (0.51) PDE4BMAPTPDE4DCYP1A2CYP3A4
SCHEMBL3607635 0.80 PDE4B (0.56) PDE4BMAPTSMN1; SMN2PDE4DTSHR
SCHEMBL3602184 0.76 PDE4B (0.46) PDE4BPDE4DTSHRHTTPDE4A
SCHEMBL3600833 0.74 PDE4B (0.44) PDE4BSMN1; SMN2PDE4DCYP1A2CYP3A4
SCHEMBL4473391 0.74 PDE4B (0.44) PDE4BPDE4DPDE4APDE4CMAPK1
SCHEMBL3611286 0.74 MEN1 (0.52) PDE4BSMN1; SMN2PDE4DCYP2C19HTT
SCHEMBL5758633 0.73 PDE4B (0.44) PDE4BROCK2PDE4DCYP1A2CYP3A4
SCHEMBL5793483 0.73 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL3605765 0.73 PDE4B (0.43) PDE4BPDE4DPDE4APDE4C
SCHEMBL3599724 0.73 PDE4D (0.45) PDE4BMAPTPDE4DPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US 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-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PDE4B 2/4885MAPT 3815/4885SMN1; SMN2 1922/4885

“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.