SCHEMBL2213850

SCHEMBL2213850

Cc1cc(-c2csc(N)n2)ccc1OCCCC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
MCHR1 Q99705 3/20 0.46
CCR3 P51677 4/20 0.46
CCR1 P32246 3/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
UTS2R Q9UKP6 3/20 0.42
HTR4 Q13639 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL2212556 0.90 SIGMAR1 (0.43) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2213964 0.89 SIGMAR1 (0.50) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2214325 0.89 NPC1 (0.51) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2208484 0.85 CCR3 (0.49) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2212835 0.81 MCHR1 (0.55) SIGMAR1MCHR1CCR3MEN1KMT2A
SCHEMBL12511180 0.81 CCR3 (0.48) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2210004 0.81 SIGMAR1 (0.48) SIGMAR1MCHR1CCR3CCR1MEN1
Hydrochloric Acid SCHEMBL2213236 0.80 CCR3 (0.47) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL12510965 0.79 UTS2R (0.49) SIGMAR1MCHR1CCR3CCR1MEN1
SCHEMBL2210918 0.79 UTS2R (0.49) SIGMAR1MCHR1CCR3CCR1MEN1

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 1048/4885CCR3 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.