SCHEMBL5362589

SCHEMBL5362589

O=C(OCc1ccccc1)N1CCN(c2ccccc2O)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.72
GAA P10253 4/20 0.72
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
TMEM97 Q5BJF2 3/20 0.55
SIGMAR1 Q99720 3/20 0.55
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.51
GRM5 P41594 1/20 0.51
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 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
SCHEMBL17659011 0.88 SMN1; SMN2 (0.56) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL379160 0.85 MEN1 (0.76) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL3970912 0.85 MEN1 (0.76) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL7393652 0.85 MEN1 (0.76) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL4814264 0.85 MEN1 (0.76) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL20994086 0.85 MEN1 (0.57) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL17019198 0.85 MEN1 (0.57) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL30070503 0.85 MEN1 (0.57) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL7143248 0.85 KMT2A (0.62) SMN1; SMN2GAAKMT2AMEN1NPSR1
SCHEMBL7224481 0.84 GAA (1.00) SMN1; SMN2GAAKMT2AMEN1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186715-B2 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-03-06 US disclosed
EP-1370558-B1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS LILLY CO ELI (US) 2005-08-24 EP disclosed
US-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-04-29 US disclosed
EP-1370558-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2003-12-17 EP disclosed
WO-2002059117-A1 PIPERAZINE- AND PIPERIDINE-DERIVATIVES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 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-20040082590-A1 Piperazine- and piperidine-derivatives as melanocortin receptor agonists MC1R, MC4R, MC5R SMN1; SMN2 3078/4885GAA 3606/4885KMT2A 2374/4885

“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.