SCHEMBL5384548

SCHEMBL5384548

CCCCCOc1ccc(N2CCCC2=O)c(C(N)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 3/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ THRB P10828 3/20 0.42
▸ THRA P10827 2/20 0.42
▸ PLA2G4B P0C869 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
Formic Acid SCHEMBL5396644 0.74 USP2 (0.40) MEN1LMNAMAPTOPRK1KMT2A
SCHEMBL7089316 0.74 MEN1 (0.67) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL5218358 0.74 PLA2G2A (0.59) MEN1LMNACYP3A4KMT2ATP53
SCHEMBL13107148 0.73 ALDH1A1 (0.64) MEN1LMNACYP3A4KMT2ATSHR
SCHEMBL204373 0.73 MEN1 (0.54) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL201318 0.73 THRB (0.55) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL12432871 0.73 THRB (0.55) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL201493 0.73 MEN1 (0.54) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL201612 0.73 MEN1 (0.54) PTPN11MEN1NR1I2LMNACHRM2
Hydrochloric Acid SCHEMBL5222196 0.73 PLA2G2A (0.58) MEN1LMNACYP3A4KMT2ATP53

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
US-7253198-B2 Hydroxyethylamine derivatives for the treatment of Alzheimer's disease GLAXO GROUP LIMITED (GB) 2007-08-07 — — US disclosed
US-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LIMITED (GB) 2006-02-02 — — 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-20060025459-A1 Hydroxyethylamine derivatives for the treatment of alzheimer's disease BACE2, PSEN2, BACE1 PTPN11 4879/4885MEN1 586/4885NR1I2 2734/4885

“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.

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