SCHEMBL3915041

SCHEMBL3915041

C[C@H](CO)NC[C@H](O)[CH]Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 4/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
TRPA1 O75762 1/20 0.39
SIGMAR1 Q99720 5/20 0.38
TAAR1 Q96RJ0 2/20 0.36
SLC18A2 Q05940 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
SCHEMBL3914454 1.00 ADRB2 (0.40) ADRB2MEN1ALDH1A1KMT2ATRPA1
SCHEMBL7054852 0.78 ALDH1A1 (0.47) ADRB2MEN1ALDH1A1KMT2ATAAR1
SCHEMBL27598444 0.78 HPGD (0.42) MEN1ALDH1A1KMT2ATRPA1TAAR1
SCHEMBL10755711 0.77 MAOB (0.46) MEN1KMT2ATRPA1
SCHEMBL7453483 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL5219600 0.73 ANPEP (0.46) MEN1ALDH1A1KMT2A
SCHEMBL3915043 0.73 MEN1 (0.59) ADRB2MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL3914456 0.73 MEN1 (0.59) ADRB2MEN1ALDH1A1KMT2ASIGMAR1
SCHEMBL5391447 0.73 ABCB1 (0.46) ADRB2MEN1KMT2ASIGMAR1
SCHEMBL1005591 0.72 SIGMAR1 (0.68) MEN1ALDH1A1KMT2ATRPA1SIGMAR1

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-7498436-B2 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY LLC (US) 2009-03-03 US disclosed
US-20060106256-A1 Substituted hydroxyethylamines PHARMACIA & UPJOHN COMPANY 2006-05-18 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-20060106256-A1 Substituted hydroxyethylamines HNMT, PNMT, BCHE ADRB2 710/4885MEN1 815/4885ALDH1A1 589/4885

“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.