SCHEMBL7225558

SCHEMBL7225558

CC(C)C1CN(Cc2ccccc2)CCC1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
FUCA1 P04066 2/20 0.51
ACHE P22303 2/20 0.51
SLC18A3 Q16572 2/20 0.50
BCHE P06276 1/20 0.48
BACE1 P56817 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CCR3 P51677 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL15140959 0.88 FUCA1 (0.55) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL15140958 0.88 FUCA1 (0.55) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL15140957 0.88 FUCA1 (0.55) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL12384460 0.84 ACHE (0.57) ALDH1A1ACHEBCHEBACE1CYP1A2
SCHEMBL9920183 0.84 ACHE (0.57) ALDH1A1ACHEBCHEBACE1CYP1A2
SCHEMBL9920488 0.84 ACHE (0.57) ALDH1A1ACHEBCHEBACE1CYP1A2
SCHEMBL5157969 0.81 FUCA1 (0.66) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL5157349 0.81 FUCA1 (0.66) ALDH1A1FUCA1ACHESLC18A3BCHE
SCHEMBL12384478 0.81 ACHE (0.57) ALDH1A1ACHEBCHEBACE1CYP1A2
SCHEMBL914717 0.80 ACHE (0.60) ALDH1A1FUCA1ACHESLC18A3BCHE

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-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 US disclosed
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 WO 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-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI ALDH1A1 2656/4885FUCA1 1778/4885ACHE 2557/4885

“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.