SCHEMBL3136004

SCHEMBL3136004

O=C(O)Cc1cc(Cl)ccc1OCCCNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
SLC6A12 P48065 1/20 0.48
CCR5 P51681 4/20 0.47
MCHR1 Q99705 1/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 1/20 0.46
CCR1 P32246 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.44
TEAD1 P28347 1/20 0.44
DRD4 P21917 1/20 0.44

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
Trifluoroacetic Acid SCHEMBL3150246 0.95 SIGMAR1 (0.45) SIGMAR1SLC6A12CCR5MCHR1BCHE
SCHEMBL3145251 0.90 SIGMAR1 (0.53) SIGMAR1SLC6A12BCHEACHEBACE1
SCHEMBL3149898 0.84 ABCB11 (0.63) SIGMAR1SLC6A12CCR5MCHR1BCHE
SCHEMBL3149904 0.84 ABCB11 (0.63) SIGMAR1SLC6A12CCR5MCHR1BCHE
SCHEMBL3153887 0.83 MEN1 (0.50) SIGMAR1SLC6A12BCHEACHEBACE1
SCHEMBL3140501 0.82 ABCB11 (0.65) SIGMAR1SLC6A12CCR5MCHR1BCHE
SCHEMBL3145609 0.82 MEN1 (0.54) SIGMAR1SLC6A12MCHR1BCHEACHE
Trifluoroacetic Acid SCHEMBL3145177 0.81 ABCB11 (0.57) SIGMAR1CCR5MCHR1BCHEACHE
Trifluoroacetic Acid SCHEMBL3149939 0.81 ABCB11 (0.60) SIGMAR1SLC6A12CCR5MCHR1BCHE
Trifluoroacetic Acid SCHEMBL3137027 0.80 MEN1 (0.47) SIGMAR1SLC6A12BCHEACHEBACE1

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
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

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 1722/4885SLC6A12 4645/4885CCR5 10/4885

“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.