SCHEMBL13391005

SCHEMBL13391005

CC(c1ccnc(N)c1)N1CCC(C(=O)N2CCC(C(=O)c3ccccn3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 6/20 0.47
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ TBK1 Q9UHD2 8/20 0.39

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
SCHEMBL14078571 0.91 ACKR3 (0.47) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL14077861 0.91 ACKR3 (0.45) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL14077794 0.91 ACKR3 (0.47) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13391111 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13391261 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13409694 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13409692 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13391222 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13391202 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1
SCHEMBL13390965 0.87 ACKR3 (0.42) ACKR3TLR9TLR8TLR7TBK1

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 7 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
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
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS SCHERING CORPORATION 2008-05-22 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
US-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — 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 2293/4885TLR9 1698/4885TLR8 1186/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ACKR3 67/4885TLR9 236/4885TLR8 132/4885

“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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