SCHEMBL2209757

SCHEMBL2209757

O=C(CSc1nc(-c2cccc([N+](=O)[O-])c2)cs1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.62
CCR1 P32246 5/20 0.62
MCHR1 Q99705 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIGMAR1 Q99720 6/20 0.51
CCR2 P41597 1/20 0.44

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
SCHEMBL2213758 0.92 CCR3 (0.63) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL6753069 0.90 CCR3 (0.62) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2213655 0.88 CCR3 (0.64) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2207880 0.88 CCR3 (0.66) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2214427 0.87 CCR3 (0.65) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2212823 0.87 CCR3 (0.63) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2212794 0.87 CCR3 (0.59) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2211706 0.86 MCHR1 (0.50) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL2210495 0.86 CCR3 (0.58) CCR3CCR1MCHR1MEN1KMT2A
SCHEMBL12511617 0.86 CCR3 (0.61) CCR3CCR1MCHR1MEN1KMT2A

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

“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.