SCHEMBL349221

SCHEMBL349221

O=C1N(c2ccc(CC(F)(F)F)cc2)CCC12CCN(Cc1ccccc1)CC2O

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 13/20 0.75
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
METAP2 P50579 2/20 0.39
DOCK5 Q9H7D0 1/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL349222 1.00 LIPE (0.75) LIPEMEN1ALDH1A1LMNAMAPT
SCHEMBL350110 0.86 LIPE (1.00) LIPE
SCHEMBL350111 0.86 LIPE (1.00) LIPE
SCHEMBL347795 0.82 LIPE (0.75) LIPEEGLN1
SCHEMBL350263 0.79 LIPE (1.00) LIPE
SCHEMBL350214 0.77 LIPE (1.00) LIPE
SCHEMBL349196 0.77 LIPE (0.70) LIPE
SCHEMBL349197 0.77 LIPE (0.70) LIPE
SCHEMBL15437295 0.75 LIPE (0.58) LIPEMEN1ALDH1A1LMNAMAPT
SCHEMBL15437446 0.73 KCNJ1 (0.60) LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-8470843-B2 Azacyclic compounds HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
WO-2012007367-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 US disclosed
US-20120015970-A1 NEW AZACYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 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-20120015970-A1 NEW AZACYCLIC COMPOUNDS AZI2, CDKN1A, TOP2B LIPE 4875/4885MEN1 359/4885ALDH1A1 287/4885

“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.