SCHEMBL2213728

SCHEMBL2213728

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.57
CCR1 P32246 5/20 0.57
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 2/20 0.42
ADRA1A P35348 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MCHR1 Q99705 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL2210819 1.00 CCR3 (0.57) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2212735 0.95 CCR3 (0.55) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL12511802 0.94 CCR3 (0.58) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2213254 0.93 CCR3 (0.56) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2213261 0.93 CCR3 (0.56) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2210847 0.93 CCR3 (0.56) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2211850 0.92 CCR3 (0.54) CCR3CCR1SIGMAR1DRD2ADRA1A
SCHEMBL2211556 0.92 CCR3 (0.55) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2212053 0.91 CCR3 (0.55) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL2215033 0.91 CCR3 (0.56) CCR3CCR1SIGMAR1MEN1KMT2A

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 5 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
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.