SCHEMBL6427745

SCHEMBL6427745

COC(=O)N[C@@H](C)C(=O)N(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRK1 P41145 1/20 0.32
CA14 Q9ULX7 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL12629160 0.83 FAAH (0.37) CTSLCTSBCTSSCTSKMEN1
SCHEMBL10980085 0.83 FAAH (0.37) CTSLCTSBCTSSCTSKMEN1
SCHEMBL768534 0.79 CA1 (0.47) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL10985225 0.79 CTSL (0.40) CTSLCTSBCTSSCTSKMEN1
SCHEMBL2386106 0.79 CA1 (0.47) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL6632972 0.79 CA1 (0.47) CTSLCTSBCTSSCTSKKMT2A
SCHEMBL17739742 0.78 CTSS (0.37) CTSLCTSBCTSSCTSKMEN1
SCHEMBL14779910 0.76 ALDH1A1 (0.32) JAK2JAK1JAK3ALDH1A1
SCHEMBL16761492 0.76 ALDH1A1 (0.32) JAK2JAK1JAK3ALDH1A1
SCHEMBL22736205 0.76 ALDH1A1 (0.36) MEN1KMT2AJAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8491931-B2 Treatment of faecal incontinence and other conditions with 1R, 2S-methoxamine NORGINE BV (NL) 2013-07-23 US disclosed
US-8491931-B2 Treatment of faecal incontinence and other conditions with 1R, 2S-methoxamine NORGINE BV (NL) 2013-07-23 US disclosed
US-20130072567-A1 TREATMENT OF FAECAL INCONTINENCE AND OTHER CONDITIONS WITH 1R, 2S-METHOXAMINE NORGINE BV (NL) 2013-03-21 US disclosed
US-20130072567-A1 TREATMENT OF FAECAL INCONTINENCE AND OTHER CONDITIONS WITH 1R, 2S-METHOXAMINE NORGINE BV (NL) 2013-03-21 US disclosed
EP-2275099-A1 Treatment of faecal incontinence with 1r,2s-methoxamine Norgine Europe BV (NL) 2011-01-19 EP disclosed
US-20100022657-A1 Treatment of faecal incontinence and other conditions with 1R, 2S-methoxamine NORGINE EUROPE BV 2010-01-28 US disclosed
US-20100022657-A1 Treatment of faecal incontinence and other conditions with 1R, 2S-methoxamine NORGINE EUROPE BV 2010-01-28 US disclosed
US-20050096397-A1 Treatment of faecal incontinence and other conditions with 1r,2s-methoxamine NORGINE EUROPE BV (NL) 2005-05-05 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 (3 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-20050096397-A1 Treatment of faecal incontinence and other conditions with 1r,2s-methoxamine HTR1D, MTNR1A, ADRA1D CTSL 4610/4885CTSB 4507/4885CTSS 3600/4885
US-20100022657-A1 Treatment of faecal incontinence and other conditions with 1R, 2S-methoxamine HTR1D, ADRA1D, HTR1A CTSL 4649/4885CTSB 4569/4885CTSS 3721/4885
US-20130072567-A1 TREATMENT OF FAECAL INCONTINENCE AND OTHER CONDITIONS WITH 1R, 2S-METHOXAMINE HTR1D, ADRA1D, HTR1A CTSL 4712/4885CTSB 4636/4885CTSS 3795/4885

“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.