SCHEMBL2212415

SCHEMBL2212415

NC(N)=Nc1nc(-c2ccc(C3CCC(CC(=O)NC4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)CC3)cc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
CCR3 P51677 4/20 0.45
CCR1 P32246 3/20 0.45
MCHR1 Q99705 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
CCR2 P41597 1/20 0.37
UTS2R Q9UKP6 1/20 0.37

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
SCHEMBL2214628 0.88 SIGMAR1 (0.58) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2212418 0.86 SIGMAR1 (0.46) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2210839 0.84 MCHR1 (0.51) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2212720 0.83 SIGMAR1 (0.47) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2213939 0.82 UTS2R (0.48) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL6106152 0.80 CCR3 (0.61) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2211685 0.77 SIGMAR1 (0.57) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL2210703 0.76 CCR3 (0.61) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL12511823 0.74 CCR3 (0.53) SIGMAR1CCR3CCR1MCHR1MEN1
SCHEMBL4036167 0.73 SIGMAR1 (0.70) SIGMAR1CCR3CCR1MCHR1MEN1

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 SIGMAR1 2000/4885CCR3 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.