SCHEMBL4211259

SCHEMBL4211259

Nc1nc(SCC(=O)NC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)ncc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 7/20 0.59
CCR1 P32246 5/20 0.59
SIGMAR1 Q99720 7/20 0.55
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MCHR1 Q99705 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
GFER P55789 1/20 0.45

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
SCHEMBL4203425 0.89 CCR3 (0.61) CCR3CCR1SIGMAR1GAA
SCHEMBL4030924 0.83 SIGMAR1 (0.61) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4031156 0.82 SIGMAR1 (0.66) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4032574 0.82 SIGMAR1 (0.77) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4205238 0.81 SIGMAR1 (0.59) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4030905 0.80 CCR3 (0.64) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4211485 0.79 SIGMAR1 (0.68) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL13888570 0.79 SIGMAR1 (0.63) CCR3CCR1SIGMAR1MEN1KMT2A
SCHEMBL4031095 0.78 SIGMAR1 (0.74) CCR3CCR1SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL2212902 0.77 CCR3 (0.66) CCR3CCR1SIGMAR1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them ASTRAZENECA AB (SE) 2009-01-22 US disclosed
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO 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-20090023733-A1 Piperidine Derivatives, Their Process for Preparation, Their Use as Therapeutic Agents and Pharmaceutical Compositions Containing Them CCR3, CCR1, CCR5 CCR3 1/4885CCR1 2/4885SIGMAR1 1718/4885

“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.