SCHEMBL16075641

SCHEMBL16075641

C/N=C1\CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.45
NR1H2 P55055 2/20 0.44
HPGD P15428 1/20 0.43
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ADORA1 P30542 2/20 0.41
MAPK1 P28482 1/20 0.41
EPHX1 P07099 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PREP P48147 1/20 0.37

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
SCHEMBL27404495 0.90 ESR2 (0.50) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL30800944 0.88 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL19341961 0.88 ESR2 (0.45) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL7884848 0.82 KMT2A (0.48) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL3748000 0.79 ESR2 (0.48) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL13160 0.79 ESR2 (0.48) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL14408022 0.78 HPGD (0.47) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL14415217 0.78 HPGD (0.47) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL893656 0.78 ESR2 (0.47) ESR2NR1H2HPGDUSP2SMN1; SMN2
SCHEMBL9426285 0.78 ESR2 (0.50) ESR2NR1H2HPGDUSP2SMN1; SMN2

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-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2015-12-31 US disclosed
US-9156847-B2 Processes and intermediates for preparing a medicament JANSSEN PHARMACEUTICA NV (BE) 2015-10-13 US disclosed
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT JANSSEN PHARMACEUTICA NV (BE) 2014-09-18 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 (2 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-20150376193-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 ESR2 3490/4885NR1H2 2404/4885HPGD 3244/4885
US-20140275126-A1 PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT BTK, SYK, JAK2 ESR2 3490/4885NR1H2 2404/4885HPGD 3244/4885

“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.