SCHEMBL5198510

SCHEMBL5198510

O=C(O)N1CC[C@H](O)[C@H](c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
SIGMAR1 Q99720 2/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
CHRNA7 P36544 1/20 0.42
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
CCR5 P51681 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL5198776 1.00 SLC18A3 (0.47) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5200597 1.00 SLC18A3 (0.47) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2241229 0.87 SLC18A3 (0.55) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL2241225 0.87 SLC18A3 (0.55) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL6042250 0.87 SLC18A3 (0.55) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL4328689 0.86 RAB9A (0.45) SLC18A3NPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL10966344 0.86 FPR1 (0.51) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL10966347 0.86 FPR1 (0.51) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL10968296 0.86 FPR1 (0.51) SLC18A3NPC1RAB9ATP53SMN1; SMN2
SCHEMBL5200432 0.86 RAB9A (0.45) SLC18A3NPC1RAB9ASMN1; SMN2SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 US 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-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT SLC18A3 4547/4885NPC1 2934/4885RAB9A 1581/4885

“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.