SCHEMBL2903522

SCHEMBL2903522

COc1ccc(C(N)(c2cccnc2)C2CCNCC2)nc1OC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.39
PDE4D Q08499 4/20 0.38
PDE4B Q07343 3/20 0.38
PDE4C Q08493 2/20 0.38
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
RET P07949 1/20 0.34
KIF5B P33176 1/20 0.34
KDR P35968 1/20 0.34
ETV6 P41212 1/20 0.34
CCDC6 Q16204 1/20 0.34
IKBKB O14920 3/20 0.33
CHUK O15111 3/20 0.33
ROCK1 Q13464 2/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
AKT1 P31749 1/20 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
Hydrochloric Acid SCHEMBL2908525 0.99 PDE4A (0.38) PDE4APDE4DPDE4BPDE4CMKNK1
SCHEMBL2901822 0.88 PDE4B (0.37) PDE4APDE4DPDE4BPDE4CIKBKB
SCHEMBL2906304 0.84 IKBKB (0.36) CHRNB2CHRNA4IKBKBCHUKHTR1A
SCHEMBL2903724 0.84 PDE4A (0.42) PDE4APDE4DPDE4BPDE4CCTSD
SCHEMBL2903092 0.70 PDE4A (0.38) PDE4APDE4DPDE4BPDE4CCHRNB2
Hydrochloric Acid SCHEMBL2902642 0.70 PDE4D (0.39) PDE4APDE4DPDE4BPDE4CCHRNB2
SCHEMBL2903523 0.69 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CCHRNB2
Hydrochloric Acid SCHEMBL2908528 0.69 PDE4A (0.47) PDE4APDE4DPDE4BPDE4CCHRNB2
SCHEMBL2903096 0.69 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CSLC6A2
SCHEMBL5646072 0.67 LMNA (0.41) CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4D 6/4885PDE4B 2/4885

“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.