SCHEMBL4998445

SCHEMBL4998445

CC(=O)Nc1cc(Cl)c(OC(=O)c2ccco2)cc1OC[C@@](C)(O)CNC1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.69
CCR1 P32246 1/20 0.68
MAPK1 P28482 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MCHR1 Q99705 2/20 0.39
TP53 P04637 1/20 0.38
CCR5 P51681 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SLC6A12 P48065 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL3677535 0.91 CCR1 (0.72) ABCB11CCR1MAPK1USP2LMNA
SCHEMBL4668083 0.90 ABCB11 (0.73) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL4666529 0.90 ABCB11 (0.73) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL4998454 0.89 CCR1 (0.68) ABCB11CCR1MAPK1USP2LMNA
Azd4818 SCHEMBL3677057 0.86 CCR1 (0.83) ABCB11CCR1MAPK1USP2LMNA
SCHEMBL1950538 0.85 CCR1 (0.80) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL4998451 0.85 CCR1 (0.58) ABCB11CCR1MAPK1USP2LMNA
Sulfuric Acid SCHEMBL1952168 0.83 CCR1 (0.76) ABCB11CCR1SIGMAR1MCHR1CCR5
SCHEMBL3807493 0.82 ABCB11 (1.00) ABCB11CCR1SIGMAR1KDM4EMCHR1
SCHEMBL3810728 0.82 ABCB11 (1.00) ABCB11CCR1SIGMAR1KDM4EMCHR1

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-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 US claimed
US-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ASTRAZENECA AB (SE) 2008-08-14 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-20080194632-A1 Novel Piperidine Derivatives as Chemokine Receptor Modulators Useful for the Treatment of Respiratory Diseases ACKR3, CCR5, CCR2 ABCB11 760/4885CCR1 4/4885MAPK1 1595/4885

“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.