SCHEMBL3179062

SCHEMBL3179062

O=C(O)N1CCN(CCN2CCCC2)C(=O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.43
HRH3 Q9Y5N1 5/20 0.42
DRD2 P14416 6/20 0.41
DRD3 P35462 5/20 0.41
DPP4 P27487 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 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
SCHEMBL3180630 0.85 KMT2A (0.44) HRH3DRD2DRD3KMT2ACYP1A2
SCHEMBL2932063 0.80 DPP4 (0.46) DPP4ACHEKMT2APARP1CYP1A2
SCHEMBL16415209 0.79 ITGB3 (0.39) MCHR1HRH3DPP4
SCHEMBL1344403 0.78 USP2 (0.41) MCHR1HRH3KMT2AMAPK1SMN1; SMN2
SCHEMBL1343977 0.77 PRMT5 (0.49) KMT2A
SCHEMBL2963862 0.77 P2RX7 (0.33) MCHR1HRH3DPP4
SCHEMBL19439275 0.77 ITGB3 (0.38) MCHR1HRH3DPP4PARP1
SCHEMBL4326132 0.76 CYP1A2 (0.48) HRH3KMT2ACYP1A2MAPK1SMN1; SMN2
SCHEMBL2924196 0.75 P2RX7 (0.33) MCHR1HRH3DPP4
SCHEMBL4014309 0.75 PARP1 (0.40) MCHR1ACHEPARP1

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
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
WO-2010006938-A1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
US-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-01-21 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 (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-20100016282-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR5 MCHR1 132/4885HRH3 129/4885DRD2 412/4885

“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.