SCHEMBL3412797

SCHEMBL3412797

O=C(O)N1CCC(COC2CCCCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GPR119 Q8TDV5 4/20 0.32
ADRA1A P35348 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 2/20 0.31
EP300 Q09472 1/20 0.31
CREBBP Q92793 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL26658467 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL26658517 0.79 KMT2A (0.42) MEN1KMT2AALDH1A1LMNA
SCHEMBL11762827 0.79 MEN1 (0.38) MEN1KMT2AL3MBTL1
SCHEMBL22151517 0.78 NCF1 (0.37) MEN1KMT2A
SCHEMBL6336488 0.78 MEN1 (0.40) MEN1KMT2AALDH1A1EP300CREBBP
SCHEMBL29998240 0.75 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1EP300
SCHEMBL8897961 0.75 MEN1 (0.39) MEN1KMT2A
SCHEMBL964569 0.74 MEN1 (0.37) MEN1KMT2AL3MBTL1
SCHEMBL26658421 0.74 MEN1 (0.37) MEN1KMT2AL3MBTL1
SCHEMBL26658594 0.74 MEN1 (0.37) MEN1KMT2AL3MBTL1

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
EP-2262789-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-12-22 EP disclosed
WO-2009109477-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A MEN1 1524/4885KMT2A 822/4885GPR119 224/4885

“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.