SCHEMBL7236597

SCHEMBL7236597

CC(C)CC1CN(Cc2ccccc2)CCC1O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
GBA1 P04062 2/20 0.49
FUCA1 P04066 2/20 0.49
ACHE P22303 2/20 0.49
SLC18A3 Q16572 1/20 0.48
BCHE P06276 1/20 0.46
BACE1 P56817 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4754607 0.90 FUCA1 (0.54) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL7226848 0.84 ALDH1A1 (0.55) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL7236741 0.82 CCR3 (0.57) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL21593411 0.82 GBA1 (0.66) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL1873794 0.82 GBA1 (0.66) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL6042430 0.82 GBA1 (0.66) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL21593408 0.82 GBA1 (0.66) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL21593480 0.82 GBA1 (0.66) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL7233965 0.82 ALDH1A1 (0.52) ALDH1A1GBA1FUCA1ACHESLC18A3
SCHEMBL3547837 0.81 ALDH1A1 (0.55) ALDH1A1GBA1FUCA1ACHESLC18A3

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 2656/4885GBA1 866/4885FUCA1 1778/4885

“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.