SCHEMBL1343852

SCHEMBL1343852

CC1C(=O)N(CCCN2CCCC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 5/20 0.35
HDAC1 Q13547 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
SETD7 Q8WTS6 1/20 0.34

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
SCHEMBL1343786 0.99 HRH3 (0.36) CHRM2CHRM1HRH2HRH1HRH3
SCHEMBL1343986 0.99 HRH3 (0.36) CHRM2CHRM1HRH2HRH1HRH3
SCHEMBL1343784 0.99 HRH3 (0.36) CHRM2CHRM1HRH2HRH1HRH3
SCHEMBL1341086 0.90 CHRM2 (0.35) CHRM2CHRM1HRH2HRH1HRH3
SCHEMBL1568438 0.86 SETD7 (0.35) SETD7
SCHEMBL1568443 0.86 SETD7 (0.35) SETD7
SCHEMBL1343917 0.85 HRH3 (0.35) HRH2HRH1HRH3ACHEBACE1
SCHEMBL1344389 0.85 HRH3 (0.35) HRH2HRH1HRH3ACHEBACE1
SCHEMBL1344387 0.85 HRH3 (0.35) HRH2HRH1HRH3ACHEBACE1
SCHEMBL1344122 0.85 HRH3 (0.36) HRH2HRH1HRH3ACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 CHRM2 81/4885CHRM1 67/4885HRH2 337/4885

“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.