SCHEMBL5718355

SCHEMBL5718355

COCCC(C(=O)O)N1CCC(OC)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.35
HRH1 P35367 5/20 0.34
CCR3 P51677 5/20 0.34
KCNH2 Q12809 4/20 0.34
KMT2A Q03164 1/20 0.33
KCNQ3 O43525 2/20 0.33
KCNQ2 O43526 2/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.32
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
SCD5 Q86SK9 1/20 0.32

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
SCHEMBL5718207 0.80 MAPT (0.40) KMT2AMAPT
SCHEMBL5718231 0.80 MAPT (0.40) KMT2AMAPT
SCHEMBL5718243 0.78 HSD17B10 (0.47) KMT2AMAPT
SCHEMBL11273723 0.72 HSP90AA1 (0.54) HRH3KMT2A
SCHEMBL5718252 0.71 DPP7 (0.33)
SCHEMBL5718228 0.67 MAPT (0.40) KMT2AMAPT
SCHEMBL14971478 0.67 HSD17B10 (0.44)
SCHEMBL9667318 0.67 ENPEP (0.37) HRH1CCR3KCNH2
SCHEMBL5718307 0.66 MAPT (0.42) KMT2AMAPT
SCHEMBL5718303 0.66 MAPT (0.42) KMT2AMAPT

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-7141560-B2 Alanine 2,6-dialkoxyphenyl ester derivatives as hypnotics AKZO NOBEL N.V. (NL) 2006-11-28 US disclosed
EP-1373188-B1 ALANINE 2,6-DIALKOXYPHENYL ESTER DERIVATIVES AS HYPNOTICS AKZO NOBEL NV (NL) 2006-06-07 EP disclosed
US-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics N.V. ORGANON (NL) 2004-03-25 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-20040059109-A1 Alanine 2, 6-dialkoxyphenyl ester derivatives as hypnotics OPRM1, OPRD1, OPRK1 HRH3 329/4885HRH1 309/4885CCR3 377/4885

“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.