SCHEMBL4478397

SCHEMBL4478397

O=C(OCc1ccccc1)ON1C(=O)CC(=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CTRB1 P17538 1/20 0.41
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL142445 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL11323517 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL1279658 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8897656 0.79 CTRB1 (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
Carbamic Acid SCHEMBL28871401 0.78 CYP2C19 (0.44) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL4041285 0.77 ALDH1A1 (0.49) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL9942943 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL6363978 0.76 CCNE1 (0.42) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL31729909 0.74 KMT2A (0.48) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL15999210 0.74 NOTUM (0.51) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2

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-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 ALDH1A1 1152/4885KMT2A 642/4885MAPK1 1575/4885

“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.