SCHEMBL2211744

SCHEMBL2211744

CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2csc(SCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.49
CCR1 P32246 5/20 0.49
SIGMAR1 Q99720 2/20 0.40
HDAC1 Q13547 3/20 0.38
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
HDAC4 P56524 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 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
SCHEMBL2214027 0.94 CCR3 (0.49) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2213344 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC8MEN1
SCHEMBL2213641 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC8MEN1
SCHEMBL2214303 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2208334 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2211670 0.92 CCR3 (0.46) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2210996 0.91 CCR3 (0.50) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2212824 0.91 CCR3 (0.47) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL12511641 0.90 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC1HDAC3
SCHEMBL2211534 0.88 CCR1 (0.46) CCR3CCR1

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
EP-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 CCR3 21/4885CCR1 11/4885SIGMAR1 2000/4885

“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.