SCHEMBL13409694

SCHEMBL13409694

CO/N=C(/c1ccccn1)C1CCN(C(=O)C2CCN(C(C)c3ccnc(N)c3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 5/20 0.42
▸ PDE4B Q07343 1/20 0.39
▸ PDE11A Q9HCR9 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ TBK1 Q9UHD2 8/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37

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
SCHEMBL13391222 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13390965 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13391261 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13391202 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13391111 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13409692 1.00 ACKR3 (0.42) ACKR3PDE4BPDE11APDE10ATBK1
SCHEMBL13391598 0.91 ACKR3 (0.41) ACKR3TBK1TLR9TLR8TLR7
SCHEMBL14355995 0.91 ACKR3 (0.40) ACKR3TBK1
SCHEMBL13391321 0.91 ACKR3 (0.40) ACKR3TBK1
SCHEMBL14188212 0.90 ACKR3 (0.46) ACKR3PDE4BPDE11APDE10A

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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION SECHERING-PLOUGH CORPORATION (US) 2010-04-15 — — US disclosed
WO-2008108957-A2 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN SCHERING CORPORATION (US) 2008-09-12 — — WO disclosed
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — 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 (2 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-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 ACKR3 2293/4885PDE4B 376/4885PDE11A 1019/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ACKR3 67/4885PDE4B 380/4885PDE11A 3237/4885

“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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