SCHEMBL379518

SCHEMBL379518

CCOC(=O)C1CCC(NCCCO)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 9/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMYD3 Q9H7B4 1/20 0.38
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL379473 0.90 MAPT (0.44) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL379729 0.86 CYP1A2 (0.42) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL5009722 0.85 MAPT (0.45) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL4222468 0.82 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL19893800 0.82 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL19909758 0.82 MAPT (0.47) MAPTALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL19893791 0.80 MAPT (0.46) MAPTALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL19893793 0.80 MAPT (0.46) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL5070265 0.80 MAPT (0.50) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL31741885 0.79 ALDH1A1 (0.45) ALDH1A1TSHRKMT2ASMYD3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
US-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBRCK A/S (DK) 2012-04-26 US disclosed
EP-2408767-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. Lundbeck A/S (DK) 2012-01-25 EP disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO disclosed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 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-20120101078-A1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS NPY5R, NPY1R, NPY2R MAPT 268/4885ALDH1A1 4710/4885TSHR 212/4885

“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.