SCHEMBL2906305

SCHEMBL2906305

COc1ccc(N(Cc2cccnc2)C2CCNCC2)nc1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR6 P50406 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL2908945 0.88 PDE4D (0.40) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL2906884 0.86 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL2903523 0.85 PDE4A (0.47) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL2908528 0.84 PDE4A (0.47) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL4136136 0.84 EP300 (0.39) SLC6A2SLC6A4SLC6A3FFAR4TDP1
SCHEMBL2901842 0.82 PDE4D (0.38) SLC6A2SLC6A4SLC6A3PDE4APDE4B
Trifluoroacetic Acid SCHEMBL2905237 0.82 PDE4D (0.41) PDE4APDE4BPDE4CPDE4D
Oxalic Acid SCHEMBL2902588 0.81 MAPT (0.40) SLC6A2SLC6A4TP53MAPTALDH1A1
SCHEMBL8284774 0.78 SLC6A4 (0.35) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL2933257 0.78 CHRM2 (0.38) CHRM2CHRM1CHRM3PDE4APDE4B

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 6 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
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
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 CHRM2 738/4885CHRM1 506/4885CHRM3 709/4885

“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.