SCHEMBL2211792

SCHEMBL2211792

N=C(N)Nc1nc(-c2ccc(SCCCC(=O)NC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 4/20 0.48
CCR1 P32246 3/20 0.48
SIGMAR1 Q99720 2/20 0.46
ABL1 P00519 4/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
MCHR1 Q99705 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
CXCR3 P49682 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
SCHEMBL2214516 0.91 SIGMAR1 (0.47) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2212594 0.90 PDE3B (0.47) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2213941 0.89 UTS2R (0.47) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2214629 0.88 SIGMAR1 (0.58) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2212725 0.88 SIGMAR1 (0.46) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2210066 0.87 SIGMAR1 (0.44) CCR3CCR1SIGMAR1ABL1ITGB3
Fumaric Acid SCHEMBL6105304 0.86 PDE3B (0.45) CCR3CCR1SIGMAR1ABL1ITGB3
SCHEMBL2212556 0.86 SIGMAR1 (0.43) CCR3CCR1SIGMAR1ABL1MCHR1
SCHEMBL2210843 0.85 MCHR1 (0.51) CCR3CCR1SIGMAR1ABL1MCHR1
Hydrochloric Acid SCHEMBL2214048 0.84 CCR3 (0.55) CCR3CCR1SIGMAR1MCHR1MEN1

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 7 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 claimed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US claimed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP claimed
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.