SCHEMBL21707988

SCHEMBL21707988

CC(C)(C)OC(=O)N1CCCCCCCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
USP2 O75604 1/20 0.62
EPHX1 P07099 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 3/20 0.50
PREP P48147 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
RECQL P46063 1/20 0.49
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
EPHX2 P34913 1/20 0.46
CTSK P43235 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL13445 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL3830876 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864905 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL2077166 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18432213 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19864899 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL19852529 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL18097955 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
SCHEMBL60470 1.00 HPGD (0.71) HPGDSMN1; SMN2USP2EPHX1MEN1
Ammonia Solution, Strong SCHEMBL20236062 0.98 HPGD (0.69) HPGDSMN1; SMN2USP2EPHX1MEN1

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-20200048194-A1 SUBSTITUTED BENZAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2020-02-13 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-20200048194-A1 SUBSTITUTED BENZAMIDES TAAR1, TAAR5, NPY1R HPGD 4397/4885SMN1; SMN2 1965/4885USP2 4393/4885

“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.