SCHEMBL5750199

SCHEMBL5750199

O=C(O)C1(O)CCN(CC(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
OPRL1 P41146 5/20 0.36
CYP2D6 P10635 3/20 0.35
OPRK1 P41145 1/20 0.34
CHRM2 P08172 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MIF P14174 1/20 0.34
CYP3A4 P08684 1/20 0.34
MME P08473 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL5750674 0.88 LTA4H (0.41) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL5774496 0.83 TSHR (0.41) CYP2D6ALDH1A1MIFCYP3A4LMNA
SCHEMBL5656404 0.81 NPC1 (0.43) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3784355 0.79 SIGMAR1 (0.44) ALDH1A1LMNATSHR
SCHEMBL1299631 0.76 SIGMAR1 (0.52) CYP2D6ALDH1A1TSHRMAPK1
Hydrochloric Acid SCHEMBL1299136 0.75 SIGMAR1 (0.51) CYP2D6ALDH1A1LMNATSHRMAPK1
SCHEMBL1430902 0.74 MIF (0.56) MIFMME
SCHEMBL8499574 0.74 PRMT5 (0.48) OPRM1LMNAHTT
SCHEMBL4391732 0.73 ALDH1A1 (0.51) CYP2D6OPRK1ALDH1A1CYP3A4TSHR
SCHEMBL3748652 0.72 TRPA1 (0.40) MIFMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP claimed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US claimed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP claimed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 WO claimed
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-1419155-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2004-05-19 EP disclosed
WO-2003010138-A2 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2003-02-06 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 GRIN2D 3792/4885GRIN3B 3465/4885ADRA1D 990/4885

“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.