SCHEMBL2212835

SCHEMBL2212835

CC(=O)c1ccc(OCCCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.55
SIGMAR1 Q99720 2/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
UTS2R Q9UKP6 8/20 0.51
CCR3 P51677 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SSTR1 P30872 1/20 0.46
SSTR5 P35346 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL2211696 0.88 MCHR1 (0.51) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2213070 0.88 UTS2R (0.64) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2214839 0.85 UTS2R (0.65) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2208142 0.84 UTS2R (0.56) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL12511780 0.84 SIGMAR1 (0.61) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2211108 0.83 UTS2R (0.62) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2215875 0.83 SIGMAR1 (0.60) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2212156 0.81 SIGMAR1 (0.56) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL2213850 0.81 SIGMAR1 (0.47) MCHR1SIGMAR1MEN1KMT2AUTS2R
SCHEMBL17950912 0.81 MCHR1 (0.58) MCHR1SIGMAR1MEN1KMT2AUTS2R

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 MCHR1 1048/4885SIGMAR1 2000/4885MEN1 3525/4885

“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.