SCHEMBL107879

SCHEMBL107879

CC(C)(C)OC(=O)N1CCN(c2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2[N+](=O)[O-])CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK1 P28482 3/20 0.50
GAA P10253 2/20 0.49
HTT P42858 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 1/20 0.48
CCR6 P51684 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
RORC P51449 1/20 0.46

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
SCHEMBL3730926 0.90 MAPT (0.61) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL30301697 0.90 MAPT (0.61) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL6629173 0.86 MAPT (0.65) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL30301712 0.86 MAPT (0.65) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL13156273 0.83 MAPT (0.75) MAPTLMNAALDH1A1MAPK1HTT
SCHEMBL4434853 0.82 MAPT (0.60) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL103004 0.82 MAPT (0.49) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL20495490 0.81 MAPT (0.56) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL4433632 0.81 LMNA (0.74) MAPTLMNAALDH1A1MAPK1GAA
SCHEMBL31443837 0.81 MAPT (0.58) MAPTLMNAALDH1A1MAPK1GAA

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-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 MAPT 2589/4885LMNA 1575/4885ALDH1A1 4311/4885

“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.