SCHEMBL7225926

SCHEMBL7225926

CC1CN(Cc2ccccc2)CC(C)(C)C1O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
GAA P10253 1/20 0.47
ACHE P22303 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NR1I2 O75469 1/20 0.44
RORC P51449 1/20 0.44
GBA1 P04062 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL6197152 0.84 FUCA1 (0.53) FUCA1MEN1TSHRKMT2AGAA
SCHEMBL1190369 0.84 FUCA1 (0.53) FUCA1MEN1TSHRKMT2AGAA
SCHEMBL1189221 0.84 FUCA1 (0.53) FUCA1MEN1TSHRKMT2AGAA
SCHEMBL7235591 0.84 FUCA1 (0.46) FUCA1MAPTMEN1TSHRKMT2A
SCHEMBL10306175 0.82 GAA (0.51) FUCA1MEN1TSHRKMT2AGAA
SCHEMBL9939340 0.82 GAA (0.51) FUCA1MEN1TSHRKMT2AGAA
SCHEMBL21462951 0.78 FUCA1 (0.68) FUCA1MAPTACHEALDH1A1GBA1
SCHEMBL21462952 0.78 FUCA1 (0.68) FUCA1MAPTACHEALDH1A1GBA1
SCHEMBL21462424 0.78 FUCA1 (0.68) FUCA1MAPTACHEALDH1A1GBA1
SCHEMBL6961544 0.78 FUCA1 (0.68) FUCA1MAPTACHEALDH1A1GBA1

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 FUCA1 1778/4885MAPT 1655/4885MEN1 3127/4885

“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.