SCHEMBL4998451

SCHEMBL4998451

C[C@](O)(CNC1CCN(Cc2ccc(Cl)cc2)CC1)COc1cc(O)c(Cl)cc1NC(=O)COC(=O)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
ABCB11 O95342 2/20 0.57
LMNA P02545 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
MCHR1 Q99705 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PAX8 Q06710 1/20 0.35

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
SCHEMBL4998146 0.91 CCR1 (0.71) CCR1ABCB11LMNATSHRUSP2
SCHEMBL3677540 0.91 CCR1 (0.71) CCR1ABCB11LMNATSHRUSP2
SCHEMBL4666533 0.90 ABCB11 (0.61) CCR1ABCB11LMNAMAPK1MCHR1
SCHEMBL4998454 0.88 CCR1 (0.68) CCR1ABCB11LMNATSHRUSP2
SCHEMBL3675985 0.86 CCR1 (0.68) CCR1ABCB11MCHR1SIGMAR1ALDH1A1
SCHEMBL4998445 0.85 ABCB11 (0.69) CCR1ABCB11LMNATSHRUSP2
SCHEMBL1950538 0.84 CCR1 (0.80) CCR1ABCB11MCHR1SIGMAR1MEN1
Sulfuric Acid SCHEMBL1952168 0.81 CCR1 (0.76) CCR1ABCB11MCHR1SIGMAR1MEN1
SCHEMBL3677535 0.81 CCR1 (0.72) CCR1ABCB11LMNATSHRUSP2
SCHEMBL2061814 0.81 CCR1 (0.74) CCR1ABCB11LMNAMAPK1MCHR1

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 CCR1 4/4885ABCB11 760/4885LMNA 4174/4885

“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.