SCHEMBL2208334

SCHEMBL2208334

C[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 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.51
CCR1 P32246 5/20 0.51
SIGMAR1 Q99720 2/20 0.41
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MCHR1 Q99705 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SUV39H2 Q9H5I1 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
SCHEMBL2214303 1.00 CCR3 (0.51) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2210996 0.94 CCR3 (0.50) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2211744 0.92 CCR3 (0.49) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2213641 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC8MEN1
SCHEMBL12511641 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2213344 0.92 CCR3 (0.51) CCR3CCR1SIGMAR1HDAC8MEN1
SCHEMBL2213171 0.91 CCR3 (0.53) CCR3CCR1SIGMAR1HDAC3HDAC1
SCHEMBL2214027 0.91 CCR3 (0.49) CCR3CCR1SIGMAR1HDAC3HDAC1
SCHEMBL2213676 0.90 CCR3 (0.51) CCR3CCR1SIGMAR1DRD2HDAC3
SCHEMBL2213681 0.90 CCR3 (0.51) CCR3CCR1SIGMAR1DRD2HDAC3

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.