SCHEMBL13391102

SCHEMBL13391102

CC(C)(C)OC(=O)Nc1cc(CN2CCC(C(=O)N3CCC(CC(=O)c4ccc(Cl)cc4)CC3)CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 4/20 0.51
▸ ACHE P22303 2/20 0.41
▸ GSK3B P49841 2/20 0.41

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
SCHEMBL13391316 0.90 ACKR3 (0.48) ACKR3ACHEGSK3B
SCHEMBL13409718 0.90 ACKR3 (0.48) ACKR3ACHEGSK3B
SCHEMBL13391112 0.87 ACKR3 (0.49) ACKR3ACHEGSK3B
SCHEMBL13391231 0.86 ACKR3 (0.46) ACKR3ACHEGSK3B
SCHEMBL12533226 0.86 ACKR3 (0.43) ACKR3
SCHEMBL14091145 0.84 ACKR3 (0.49) ACKR3
SCHEMBL13391076 0.84 ACKR3 (0.46) ACKR3ACHEGSK3B
SCHEMBL12533228 0.84 ACKR3 (0.42) ACKR3
SCHEMBL13060396 0.83 ACKR3 (0.45) ACKR3GSK3B
SCHEMBL8230868 0.83 ACKR3 (0.46) ACKR3

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 11 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
EP-1896453-B1 CARBON-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORP (US) 2009-12-02 — — EP 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-7408066-B2 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPROATION (US) 2008-08-05 — — US 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
US-20070010513-A1 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists SCHERING CORPORATION 2007-01-11 — — US disclosed
WO-2007002057-A1 CARBON-LINKED SUBSTITUTED PIPERIDINES AND DERIVATIVES THEREOF USEFUL AS HISTAMINE H3 ANTAGONISTS SCHERING CORPORATION (US) 2007-01-04 — — 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 (3 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-20070010513-A1 Carbon-linked substituted piperidines and derivatives thereof useful as histamine H3 antagonists HRH3, HRH4, CHRM1 ACKR3 106/4885ACHE 1651/4885GSK3B 4050/4885
US-20100093692-A1 PIPERIDINYL-PIPERIDINE AND PIPERAZINYL-PIPERIDINE FOR USE IN THE TREATMENT OF DIABETES OR PAIN GPR119, ATF4, GID4 ACKR3 2293/4885ACHE 390/4885GSK3B 3247/4885
US-20080119487-A1 NOVEL NON-IMIDAZOLE COMPOUNDS HRH2, HRH1, HRH4 ACKR3 67/4885ACHE 1083/4885GSK3B 4688/4885

“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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