SCHEMBL5659280

SCHEMBL5659280

O=C(CN1CC[C@@H](CN2CCOCC2)C1)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.76
MAPT P10636 5/20 0.76
LMNA P02545 3/20 0.60
HTT P42858 2/20 0.60
EPHX2 P34913 2/20 0.59
RAB9A P51151 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX15 P16050 1/20 0.53
EGFR P00533 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL5659690 0.91 ALDH1A1 (0.61) ALDH1A1MAPTLMNAHTTEPHX2
SCHEMBL3211268 0.81 ALDH1A1 (0.69) ALDH1A1MAPTLMNAHTTRAB9A
Hydrochloric Acid SCHEMBL3210452 0.80 ALDH1A1 (0.70) ALDH1A1MAPTLMNAHTTRAB9A
SCHEMBL5337343 0.77 ALDH1A1 (0.80) ALDH1A1MAPTLMNAHTTEPHX2
SCHEMBL13234921 0.74 MAPT (0.71) ALDH1A1MAPTLMNAHTTEPHX2
SCHEMBL10122851 0.71 LMNA (1.00) ALDH1A1MAPTLMNAHTTHPGD
SCHEMBL29853496 0.71 ALDH1A1 (0.68) ALDH1A1MAPTLMNAHTTEPHX2
SCHEMBL26768576 0.71 ALDH1A1 (0.68) ALDH1A1MAPTLMNAHTTEPHX2
SCHEMBL4576852 0.70 SMN1; SMN2 (0.72) ALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL4261838 0.70 EPHX2 (1.00) ALDH1A1MAPTHTTEPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S ALDH1A1 1337/4885MAPT 4374/4885LMNA 1402/4885

“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.