SCHEMBL3145993

SCHEMBL3145993

Cc1cc(C)cc(CN2CCC(N)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SSTR2 P30874 2/20 0.43
ACHE P22303 3/20 0.42
BACE1 P56817 1/20 0.42
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KDM1A O60341 1/20 0.40
LTA4H P09960 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
GPR183 P32249 1/20 0.39
NSD2 O96028 1/20 0.38
NSD3 Q9BZ95 1/20 0.38
CXCR4 P61073 1/20 0.38

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
SCHEMBL12859444 0.83 ACHE (0.59) MEN1KMT2AACHEBACE1HRH3
SCHEMBL6943838 0.83 BACE1 (0.58) MEN1KMT2AACHEBACE1KDM4E
SCHEMBL3614984 0.81 ALDH1A1 (0.59) MEN1KMT2AACHEBACE1HRH3
SCHEMBL8099793 0.81 ALDH1A1 (0.59) MEN1KMT2AACHEBACE1HRH3
SCHEMBL29027672 0.81 KDM4E (0.59) MEN1KMT2AACHEBACE1HRH3
SCHEMBL22255222 0.81 ALDH1A1 (0.44) MEN1KMT2AACHEBACE1ALDH1A1
SCHEMBL27978872 0.80 EPHX2 (0.51) MEN1KMT2ASSTR2ACHEHRH3
SCHEMBL13602645 0.79 GAA (0.45) MEN1KMT2AACHEBACE1HRH3
SCHEMBL17967915 0.78 MEN1 (0.44) MEN1KMT2AACHEBACE1KDM4E
SCHEMBL15872041 0.78 HRH3 (0.54) MEN1KMT2AHRH3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 MEN1 4733/4885KMT2A 2792/4885SSTR2 2501/4885

“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.