SCHEMBL2211706

SCHEMBL2211706

CC(Sc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.50
CCR3 P51677 4/20 0.47
CCR1 P32246 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MYD88 Q99836 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
EIF4E P06730 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41

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
SCHEMBL2209757 0.86 CCR3 (0.62) MCHR1CCR3CCR1ALDH1A1MAPT
SCHEMBL2213758 0.78 CCR3 (0.63) MCHR1CCR3CCR1ALDH1A1MAPT
SCHEMBL6111519 0.78 MCHR1 (0.46) MCHR1CCR3CCR1ALDH1A1SIGMAR1
SCHEMBL12511802 0.76 CCR3 (0.58) MCHR1CCR3CCR1MAPTSIGMAR1
SCHEMBL6753069 0.76 CCR3 (0.62) MCHR1CCR3CCR1ALDH1A1MAPT
SCHEMBL12511839 0.76 CCR3 (0.59) MCHR1CCR3CCR1MAPTSIGMAR1
SCHEMBL2214242 0.76 CCR3 (0.52) MCHR1CCR3CCR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL2210887 0.75 CCR3 (0.59) MCHR1CCR3CCR1MAPTSIGMAR1
SCHEMBL2212794 0.75 CCR3 (0.59) MCHR1CCR3CCR1ALDH1A1MAPT
SCHEMBL2212823 0.75 CCR3 (0.63) MCHR1CCR3CCR1SIGMAR1MEN1

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 MCHR1 1048/4885CCR3 21/4885CCR1 11/4885

“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.