SCHEMBL3144697

SCHEMBL3144697

CC(C(=O)O)c1ccc(F)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.62
CCR1 P32246 1/20 0.59
SIGMAR1 Q99720 6/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
BACE1 P56817 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 3/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CCR5 P51681 1/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 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
SCHEMBL3149913 0.93 ABCB11 (0.61) ABCB11CCR1SIGMAR1MCHR1KCNH2
SCHEMBL3140521 0.90 ABCB11 (0.70) ABCB11CCR1SIGMAR1BCHEACHE
Trifluoroacetic Acid SCHEMBL3142036 0.88 ABCB11 (0.65) ABCB11CCR1SIGMAR1BCHEACHE
SCHEMBL3140426 0.85 ABCB11 (0.63) ABCB11CCR1SIGMAR1BCHEACHE
SCHEMBL3145066 0.84 ABCB11 (0.62) ABCB11CCR1SIGMAR1BCHEACHE
SCHEMBL1682975 0.84 CCR1 (0.83) ABCB11CCR1SIGMAR1MEN1KMT2A
SCHEMBL30172144 0.84 CCR1 (0.83) ABCB11CCR1SIGMAR1MEN1KMT2A
SCHEMBL3807474 0.84 CCR1 (0.83) ABCB11CCR1SIGMAR1MEN1KMT2A
SCHEMBL3048642 0.84 ABCB11 (0.62) ABCB11SIGMAR1BCHEACHEBACE1
Trifluoroacetic Acid SCHEMBL3150068 0.83 ABCB11 (0.60) ABCB11CCR1SIGMAR1BCHEACHE

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 ABCB11 477/4885CCR1 1/4885SIGMAR1 1722/4885

“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.