SCHEMBL19742394

SCHEMBL19742394

O=C(CCN1CCOCC1)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.63
EPHX1 P07099 1/20 0.62
GAA P10253 1/20 0.62
SMYD3 Q9H7B4 1/20 0.55
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR2 P34972 2/20 0.51
CNR1 P21554 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL13935922 0.87 SIGMAR1 (0.71) SIGMAR1EPHX1SMYD3SMN1; SMN2ALDH1A1
SCHEMBL25501931 0.86 SMN1; SMN2 (0.55) SIGMAR1EPHX1GAASMYD3TSHR
SCHEMBL12819735 0.85 SMYD3 (0.56) SIGMAR1EPHX1GAASMYD3SMN1; SMN2
SCHEMBL10304524 0.84 SIGMAR1 (0.67) SIGMAR1EPHX1GAASMN1; SMN2ALDH1A1
SCHEMBL19739051 0.83 SIGMAR1 (0.70) SIGMAR1SMYD3SMN1; SMN2ALDH1A1HPGD
SCHEMBL13661594 0.82 SIGMAR1 (0.64) SIGMAR1SMYD3SMN1; SMN2ALDH1A1HPGD
SCHEMBL1314827 0.81 SIGMAR1 (0.72) SIGMAR1EPHX1SMYD3SMN1; SMN2ALDH1A1
SCHEMBL1316135 0.81 SIGMAR1 (0.72) SIGMAR1EPHX1SMYD3SMN1; SMN2ALDH1A1
SCHEMBL975896 0.80 SIGMAR1 (0.73) SIGMAR1SMN1; SMN2ALDH1A1KMT2AHPGD
SCHEMBL1316096 0.79 SIGMAR1 (0.69) SIGMAR1EPHX1SMYD3SMN1; SMN2ALDH1A1

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-20200123142-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2020-04-23 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 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-20200123142-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 SIGMAR1 371/4885EPHX1 3678/4885GAA 3339/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 SIGMAR1 371/4885EPHX1 3678/4885GAA 3339/4885

“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.