SCHEMBL2212418

SCHEMBL2212418

N=C(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 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
CCR1 P32246 3/20 0.44
CCR3 P51677 3/20 0.44
ABL1 P00519 3/20 0.43
MCHR1 Q99705 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
CXCR3 P49682 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL2214629 0.88 SIGMAR1 (0.58) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2212415 0.86 SIGMAR1 (0.46) SIGMAR1CCR1CCR3MCHR1MEN1
SCHEMBL2210843 0.85 MCHR1 (0.51) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2214516 0.85 SIGMAR1 (0.47) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2212725 0.83 SIGMAR1 (0.46) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2211792 0.83 CCR3 (0.48) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2212594 0.83 PDE3B (0.47) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2213941 0.82 UTS2R (0.47) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL2210066 0.82 SIGMAR1 (0.44) SIGMAR1CCR1CCR3ABL1MCHR1
SCHEMBL6106154 0.81 CCR3 (0.61) SIGMAR1CCR1CCR3ABL1MCHR1

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 SIGMAR1 2000/4885CCR1 11/4885CCR3 21/4885

“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.