SCHEMBL464585

SCHEMBL464585

CC(C)(CCN1CCOCC1)c1ccc(N=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TSHR P16473 3/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL8353424 0.82 SIGMAR1 (0.50) SIGMAR1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL427422 0.81 SIGMAR1 (0.49) SIGMAR1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL427423 0.78 KCNJ1 (0.55) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL13662563 0.74 SIGMAR1 (0.55) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL25039185 0.73 ALDH1A1 (0.55) SIGMAR1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL14515341 0.73 ALDH1A1 (0.45) SIGMAR1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL19623616 0.71 ALDH1A1 (0.42) ALDH1A1TSHRTP53MEN1KMT2A
SCHEMBL19882292 0.71 CA12 (0.62) SIGMAR1ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL11629767 0.69 GAA (0.51) SIGMAR1OPRM1OPRD1ALDH1A1TSHR
SCHEMBL19623807 0.69 NPC1 (0.51) ALDH1A1TSHRMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 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 (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-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO SIGMAR1 1841/4885OPRM1 894/4885OPRD1 2051/4885

“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.