SCHEMBL10153887

SCHEMBL10153887

N[C@H]1CC[C@H](NC(=O)NCCN2CCOCC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 2/20 0.47
CNR1 P21554 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12820462 0.86 EPHX1 (0.64) GAAEPHX1TSHRCNR1SMN1; SMN2
SCHEMBL7569550 0.86 EPHX1 (0.84) GAAEPHX1TSHRCNR1SMN1; SMN2
SCHEMBL3897267 0.78 SMN1; SMN2 (0.60) GAAEPHX1TSHRCNR1SMN1; SMN2
SCHEMBL12196118 0.78 EPHX1 (1.00) GAAEPHX1TSHREPHX2ALDH1A1
SCHEMBL473628 0.77 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1CA12CA1
SCHEMBL473629 0.77 ALDH1A1 (0.54) SMN1; SMN2LMNAALDH1A1CA12CA1
SCHEMBL20356557 0.74 LMNA (0.54) GAAEPHX1TSHRCNR1SMN1; SMN2
SCHEMBL14647564 0.73 EPHX1 (0.48) GAAEPHX1TSHRCNR1SMN1; SMN2
SCHEMBL12820457 0.72 EPHX1 (0.50) GAAEPHX1CNR1EPHX2ALDH1A1
SCHEMBL1514666 0.72 GAA (0.57) GAAEPHX1TSHRCNR1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 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-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA GAA 3043/4885EPHX1 3828/4885TSHR 1779/4885

“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.