SCHEMBL15810880

SCHEMBL15810880

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
HPGDS O60760 2/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 5/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
PTGS2 P35354 1/20 0.42
THPO P40225 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
CNR1 P21554 2/20 0.40

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
SCHEMBL7669779 1.00 ALDH1A1 (0.67) ALDH1A1HPGDSMEN1LMNAKMT2A
SCHEMBL7669784 1.00 ALDH1A1 (0.67) ALDH1A1HPGDSMEN1LMNAKMT2A
SCHEMBL14932683 0.92 ALDH1A1 (0.58) ALDH1A1HPGDSCNR2SMN1; SMN2MMP2
SCHEMBL30493601 0.92 ALDH1A1 (0.58) ALDH1A1HPGDSCNR2SMN1; SMN2MMP2
SCHEMBL20951072 0.88 ALDH1A1 (0.53) ALDH1A1HPGDSCNR2CA12CA1
SCHEMBL20951073 0.88 ALDH1A1 (0.53) ALDH1A1HPGDSCNR2CA12CA1
SCHEMBL22367131 0.88 ALDH1A1 (0.53) ALDH1A1HPGDSCNR2CA12CA1
SCHEMBL24235501 0.87 ALDH1A1 (0.52) ALDH1A1HPGDSMEN1LMNAKMT2A
SCHEMBL13822102 0.86 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT
SCHEMBL15354479 0.86 ALDH1A1 (0.72) ALDH1A1MEN1LMNAKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023288028-A2 PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR JANSSEN BIOTECH, INC. (US) 2023-01-19 WO disclosed
EP-4074699-A1 COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2022-10-19 EP disclosed
EP-2931724-B1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA LP (US) 2017-01-25 EP disclosed
US-9403824-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2016-08-02 US disclosed
US-9340542-B2 Propellane-based compounds and the use thereof PURDUE PHARMA L.P. (US) 2016-05-17 US disclosed
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. 2015-07-23 US disclosed
WO-2015097546-A1 PROPELLANE-BASED COMPOUNDS AND THEIR USE AS OPIOID RECEPTOR MODULATORS PURDUE PHARMA L.P. (US) 2015-07-02 WO disclosed
US-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2015-07-02 US disclosed
US-8980906-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2015-03-17 US disclosed
US-20140187549-A1 Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors PURDUE PHARMA L.P. (US) 2014-07-03 US disclosed
WO-2014091295-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. (US) 2014-06-19 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 (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-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF OPRL1, OPRK1, OPRD1 ALDH1A1 214/4885HPGDS 578/4885MEN1 3121/4885
US-20140187549-A1 Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors OPRM1, OPRK1, OPRL1 ALDH1A1 638/4885HPGDS 789/4885MEN1 4421/4885
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS OPRM1, OPRK1, OPRL1 ALDH1A1 704/4885HPGDS 842/4885MEN1 4434/4885

“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.