SCHEMBL13951666

SCHEMBL13951666

N=C(N)c1ccc(CC(=O)NC2CCN(CCN(c3ccccc3)S(=O)(=O)Cc3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 18/20 0.52
▸ F2 P00734 1/20 0.44
▸ F10 P00742 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 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
SCHEMBL13929259 0.83 RORC (0.44) SIGMAR1F2F10PRSS1PRSS2
SCHEMBL13952140 0.82 TPSAB1 (0.50) F2F10PRSS1PRSS2PRSS3
SCHEMBL13929264 0.79 SIGMAR1 (0.47) SIGMAR1F2F10PRSS1PRSS2
SCHEMBL13929260 0.73 PKM (0.46) SIGMAR1F2F10PRSS1PRSS2
SCHEMBL13951542 0.73 SIGMAR1 (0.53) SIGMAR1
SCHEMBL13929229 0.72 OPRM1 (0.50) SIGMAR1
SCHEMBL13929312 0.70 RORC (0.47) SIGMAR1
SCHEMBL4220531 0.70 SIGMAR1 (0.54) SIGMAR1
SCHEMBL29448589 0.69 L3MBTL1 (0.64) SIGMAR1
SCHEMBL4217001 0.69 SIGMAR1 (0.57) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity EUROSCREEN S.A. (BE) 2009-02-26 — — US 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-20090054451-A1 Use of Piperidine Derivatives as Agonists of Chemokine Receptor Activity ACKR3, CCR5, CCR7 SIGMAR1 129/4885F2 4147/4885F10 4382/4885

“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.

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