SCHEMBL3224829

SCHEMBL3224829

CC(C)[C@@H](NCC1CCCCC1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CYP2D6 P10635 1/20 0.41
EPHX1 P07099 5/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CA9 Q16790 1/20 0.39
EPHX2 P34913 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALOX5 P09917 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
ADH1B P00325 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
SCHEMBL7389974 0.84 ALDH1A1 (0.47) CNR1CYP2D6EPHX1ALDH1A1CA12
SCHEMBL22314226 0.78 EPHX1 (0.43) CYP2D6EPHX1ALDH1A1TSHRCA12
SCHEMBL26903151 0.78 HPGD (0.49) CNR1ALDH1A1EPHX2SMN1; SMN2
SCHEMBL23080106 0.77 HPGD (0.37) ALDH1A1CA12CA1CA2MMP1
SCHEMBL30775627 0.76 CYP2D6 (0.41) CYP2D6EPHX1ALDH1A1CA12CA1
SCHEMBL22570771 0.76 ADH1B (0.36) CYP2D6EPHX1ALDH1A1TSHRCA12
SCHEMBL20999947 0.76 CYP2D6 (0.41) CYP2D6EPHX1ALDH1A1CA12CA1
SCHEMBL23080141 0.76 EPHX1 (0.41) EPHX1ALDH1A1TSHRCA12CA1
SCHEMBL26168283 0.74 CNR1 (0.43) CNR1ALDH1A1TSHRKMT2A
SCHEMBL30775639 0.73 TSHR (0.43) CYP2D6EPHX1ALDH1A1TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2010-03-18 US disclosed
CN-101583599-A N-hydroxyacrylamide compounds ASTELLAS PHARMA INC (JP) 2009-11-18 CN disclosed
EP-2099756-A1 N-HYDROXYACRYLAMIDE COMPOUNDS Astellas Pharma Inc. (JP) 2009-09-16 EP disclosed
WO-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 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 (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-20100069388-A1 N-HYDROXYACRYLAMIDE COMPOUNDS HDAC1, HDAC11, HDAC2 CNR1 1215/4885CYP2D6 3340/4885EPHX1 1810/4885

“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.