SCHEMBL3149935

SCHEMBL3149935

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1ccc(F)cc1CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.62
CCR1 P32246 2/20 0.59
SIGMAR1 Q99720 4/20 0.43
CCR5 P51681 4/20 0.42
MCHR1 Q99705 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
CCR3 P51677 1/20 0.40
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
DRD3 P35462 1/20 0.39

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 SCHEMBL3151035 0.98 ABCB11 (0.59) ABCB11CCR1SIGMAR1CCR5MCHR1
SCHEMBL3145066 0.94 ABCB11 (0.62) ABCB11CCR1SIGMAR1CCR5MCHR1
SCHEMBL3150098 0.93 ABCB11 (0.63) ABCB11CCR1SIGMAR1CCR5MCHR1
SCHEMBL3135889 0.93 ABCB11 (0.61) ABCB11CCR1SIGMAR1CCR5MCHR1
Trifluoroacetic Acid SCHEMBL3149814 0.92 ABCB11 (0.59) ABCB11CCR1SIGMAR1CCR5MCHR1
Trifluoroacetic Acid SCHEMBL3141977 0.91 ABCB11 (0.59) ABCB11CCR1SIGMAR1CCR5MCHR1
SCHEMBL3145745 0.90 ABCB11 (0.70) ABCB11CCR1SIGMAR1CCR5MCHR1
Trifluoroacetic Acid SCHEMBL3141729 0.89 ABCB11 (0.66) ABCB11CCR1SIGMAR1CCR5MCHR1
SCHEMBL3140426 0.89 ABCB11 (0.63) ABCB11CCR1SIGMAR1CCR5BCHE
Trifluoroacetic Acid SCHEMBL3150068 0.87 ABCB11 (0.60) ABCB11CCR1SIGMAR1CCR5BCHE

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 2 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
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.