SCHEMBL2210066

SCHEMBL2210066

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
MCHR1 Q99705 1/20 0.44
CCR1 P32246 3/20 0.44
CCR3 P51677 3/20 0.44
ABL1 P00519 2/20 0.42
PAX8 Q06710 1/20 0.42
RORC P51449 2/20 0.42
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BDKRB1 P46663 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) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2211792 0.87 CCR3 (0.48) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2212594 0.87 PDE3B (0.47) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2214629 0.87 SIGMAR1 (0.58) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2213941 0.87 UTS2R (0.47) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2212725 0.85 SIGMAR1 (0.46) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2210843 0.83 MCHR1 (0.51) SIGMAR1MCHR1CCR1CCR3ABL1
Fumaric Acid SCHEMBL6105304 0.83 PDE3B (0.45) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2212556 0.83 SIGMAR1 (0.43) SIGMAR1MCHR1CCR1CCR3ABL1
SCHEMBL2212418 0.82 SIGMAR1 (0.46) SIGMAR1MCHR1CCR1CCR3ABL1

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 2000/4885MCHR1 1048/4885CCR1 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.