SCHEMBL2179116

SCHEMBL2179116

NC1CN(Cc2ccccc2)CCC1O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.58
FUCA1 P04066 2/20 0.56
SLC18A3 Q16572 3/20 0.53
ACHE P22303 2/20 0.51
BCHE P06276 1/20 0.51
BACE1 P56817 1/20 0.51
SIGMAR1 Q99720 4/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CCR3 P51677 1/20 0.50
S1PR5 Q9H228 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2B Q13224 1/20 0.49

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
SCHEMBL13349193 1.00 ALDH1A1 (0.58) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL9195499 0.91 ALDH1A1 (0.68) ALDH1A1FUCA1SLC18A3BCHECYP1A2
SCHEMBL9202324 0.91 ALDH1A1 (0.68) ALDH1A1FUCA1SLC18A3BCHECYP1A2
SCHEMBL2178042 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL1955799 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL1710254 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL9721734 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL2178046 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
SCHEMBL2509822 0.87 FUCA1 (0.60) ALDH1A1FUCA1SLC18A3ACHEBCHE
Hydrochloric Acid SCHEMBL3057890 0.86 FUCA1 (0.58) ALDH1A1FUCA1SLC18A3ACHEBCHE

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
US-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-07 US disclosed
CN-100497331-C 7-(4-oxime-3-amino-1-piperidine) quinoline carboxylic acid derivative and method for making same BEIJING DOUBLE CRANE PHARMACEU (CN) 2009-06-10 CN disclosed
CN-101117336-A 7-(4-oxime-3-amino-1-piperidine) quinoline carboxylic acid derivative and method for making same INST OF MEDICAL BIOTECHNOLOGY (CN) 2008-02-06 CN disclosed
CN-101070322-A 7-(4-nitroyl-3-amino-1-piperidyl) quinolinecarboxylic acid derivative, its preparing method and use MEDICINE BIOLOG TECHNOLOGY I C (CN) 2007-11-14 CN 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-20110166357-A1 METHOD FOR PRODUCING N-SUBSTITUTED-TRANS-4-AZIDOPIPERIDINE-3-OL RPS27L, OSGEP, RPLP1 ALDH1A1 264/4885FUCA1 1451/4885SLC18A3 2053/4885

“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.