SCHEMBL3145251

SCHEMBL3145251

O=C(O)Cc1ccccc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
ABCB11 O95342 2/20 0.49
MAOB P27338 1/20 0.48
SLC6A12 P48065 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DRD4 P21917 2/20 0.46

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
SCHEMBL3153887 0.90 MEN1 (0.50) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL3136004 0.90 SIGMAR1 (0.48) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL3145609 0.88 MEN1 (0.54) SIGMAR1MEN1KMT2ABCHEACHE
Trifluoroacetic Acid SCHEMBL3137027 0.87 MEN1 (0.47) SIGMAR1MEN1KMT2ABCHEACHE
Trifluoroacetic Acid SCHEMBL3150246 0.86 SIGMAR1 (0.45) SIGMAR1MEN1KMT2ABCHEACHE
Trifluoroacetic Acid SCHEMBL3136128 0.84 NPSR1 (0.49) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL4714274 0.83 ABCB11 (0.54) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL3135724 0.82 ABCB11 (0.72) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL3136342 0.82 ABCB11 (0.51) SIGMAR1MEN1KMT2ABCHEACHE
SCHEMBL3145163 0.82 MEN1 (0.55) SIGMAR1MEN1KMT2ABCHEACHE

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
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 claimed
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 claimed
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 claimed
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 SIGMAR1 1722/4885MEN1 4733/4885KMT2A 2792/4885

“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.