SCHEMBL2908516

SCHEMBL2908516

COc1ccc(N(Cc2cccnc2)C2CCCNC2)nc1O[C@@H]1CCOC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PDE4A P27815 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
SYK P43405 4/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A4 P31645 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CYP2D6 P10635 1/20 0.35
CTSL P07711 1/20 0.35
GPBAR1 Q8TDU6 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
SCHEMBL2909468 0.91 PDE4A (0.45) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2901842 0.90 PDE4D (0.38) PDE4APDE4DPDE4BPDE4CSYK
SCHEMBL2901989 0.90 PDE4D (0.42) PDE4APDE4DPDE4BPDE4CSYK
Oxalic Acid SCHEMBL2902724 0.86 PDE4A (0.44) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL8286591 0.85 CHRNB2 (0.38) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2907636 0.82 PDE4A (0.41) PDE4APDE4DPDE4BPDE4CTP53
SCHEMBL2903523 0.81 PDE4A (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL2908528 0.81 PDE4A (0.47) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL2908807 0.80 PDE4D (0.37) CHRNB2CHRNA4CHRM2CHRM1CHRM3
SCHEMBL4136062 0.80 PDE4D (0.37) CHRNB2CHRNA4CHRM2CHRM1CHRM3

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 claimed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 US claimed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B CHRNB2 1259/4885CHRNA4 352/4885CHRM2 738/4885

“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.