SCHEMBL1343786

SCHEMBL1343786

CC1C(=O)N(CCCN2CCCCC2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1343784 1.00 HRH3 (0.36) HRH3CHRM2CHRM1HRH2HRH1
SCHEMBL1343986 1.00 HRH3 (0.36) HRH3CHRM2CHRM1HRH2HRH1
SCHEMBL1343852 0.99 CHRM2 (0.37) HRH3CHRM2CHRM1HRH2HRH1
SCHEMBL1341086 0.88 CHRM2 (0.35) HRH3CHRM2CHRM1HRH2HRH1
SCHEMBL1344122 0.86 HRH3 (0.36) HRH3HRH2HRH1ACHEBACE1
SCHEMBL1344389 0.86 HRH3 (0.35) HRH3HRH2HRH1ACHEBACE1
SCHEMBL1344387 0.86 HRH3 (0.35) HRH3HRH2HRH1ACHEBACE1
SCHEMBL1343917 0.86 HRH3 (0.35) HRH3HRH2HRH1ACHEBACE1
SCHEMBL1568443 0.85 SETD7 (0.35)
SCHEMBL1568438 0.85 SETD7 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 US disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 HRH3 137/4885CHRM2 81/4885CHRM1 67/4885
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 HRH3 129/4885CHRM2 42/4885CHRM1 43/4885

“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.