SCHEMBL4199082

SCHEMBL4199082

CCN(CC1CCCN1C(=O)OC(C)(C)C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.47
▸ GHSR Q92847 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ AHCY P23526 3/20 0.42
▸ KDM1A O60341 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ CCR8 P51685 1/20 0.39

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
SCHEMBL3648138 1.00 FFAR1 (0.47) FFAR1GHSRKDM4EAHCYKDM1A
SCHEMBL4317069 0.77 CHEK2 (0.52) KDM4EKDM1AMEN1KMT2AHCRTR2
SCHEMBL4324225 0.76 LTA4H (0.48) FFAR1KDM1A
SCHEMBL4324219 0.76 LTA4H (0.48) FFAR1KDM1A
SCHEMBL2545927 0.76 RIPK1 (0.46) AHCYOPRD1USP30UCHL1
SCHEMBL938055 0.74 ABHD6 (0.50) KDM1A
SCHEMBL938053 0.74 ABHD6 (0.50) KDM1A
SCHEMBL27936838 0.74 ABHD6 (0.50) KDM1A
SCHEMBL4308226 0.74 PRMT5 (0.50) FFAR1GHSRKDM4EAHCYKDM1A
SCHEMBL4310678 0.74 FFAR1 (0.46) FFAR1GHSRAHCYKDM1AOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389507-B2 2-azetidinemethaneamines and 2-pyrrolidinemethaneamines as TAAR-ligands HOFFMANN-LA ROCHE INC. (US) 2013-03-05 — — US disclosed
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS GALLEY GUIDO (DE) 2013-01-03 — — US disclosed
US-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS HOFFMANN-LA ROCHE, INC. 2009-01-29 — — 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-20090029962-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R FFAR1 106/4885GHSR 72/4885KDM4E 1898/4885
US-20130005988-A1 2-AZETIDINEMETHANEAMINES AND 2-PYRROLIDINEMETHANEAMINES AS TAAR-LIGANDS TAAR1, TAAR5, NPY2R FFAR1 106/4885GHSR 72/4885KDM4E 1898/4885

“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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