SCHEMBL2906304

SCHEMBL2906304

COc1ccc(C(N)(c2cccnc2)C2CCNCC2)nc1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.36
CHUK O15111 2/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
TDP1 Q9NUW8 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
HTR1A P08908 1/20 0.34
SLC6A3 Q01959 1/20 0.34
EDNRA P25101 2/20 0.34
KDM1A O60341 2/20 0.33
HTR4 Q13639 1/20 0.33
EP300 Q09472 1/20 0.33
PDE2A O00408 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MELK Q14680 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL2903522 0.84 PDE4A (0.39) IKBKBCHUKSLC6A2SLC6A4HTR1A
Hydrochloric Acid SCHEMBL2908525 0.83 PDE4A (0.38) IKBKBCHUKSLC6A2SLC6A4HTR1A
SCHEMBL2901822 0.72 PDE4B (0.37) IKBKBCHUK
SCHEMBL5753919 0.72 IKBKB (0.39) IKBKBCHUKCHRNB4CHRNA3TDP1
SCHEMBL2906305 0.70 CHRM2 (0.39) IKBKBCHUKCHRNB4CHRNA3TDP1
SCHEMBL2903724 0.69 PDE4A (0.42) TDP1
SCHEMBL5646072 0.66 LMNA (0.41) TDP1KDM1ACHRNB2CHRNA4
SCHEMBL3314640 0.65 IKBKB (0.43) IKBKBCHUKCHRNB2CHRNA4
SCHEMBL5649209 0.65 MEN1 (0.42) CHRNB4CHRNA3KDM1ACHRM2CHRM1
SCHEMBL8600531 0.62 LMNA (0.50) TDP1KDM1ACHRNB2CHRNA4

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 IKBKB 2355/4885CHUK 1202/4885CHRNB4 291/4885

“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.