SCHEMBL13434233

SCHEMBL13434233

CC(C)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
CYP2C19 P33261 1/20 0.52
LCK P06239 1/20 0.51
MAPK1 P28482 1/20 0.51
GRIN2B Q13224 2/20 0.50
HTT P42858 1/20 0.50
JAK2 O60674 2/20 0.49
JAK1 P23458 2/20 0.49
TYK2 P29597 2/20 0.49
JAK3 P52333 2/20 0.49
USP30 Q70CQ3 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BCL9 O00512 2/20 0.48
CTNNB1 P35222 2/20 0.48
F13A1 P00488 2/20 0.48

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
SCHEMBL13434236 1.00 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL2241312 0.94 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL15134851 0.89 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL4893820 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL4893813 0.88 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL30275177 0.87 MAPK1 (0.54) SMN1; SMN2NPC1RAB9ACYP2C19MAPK1
SCHEMBL2730004 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL10228212 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL16980450 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK
SCHEMBL17084106 0.86 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ACYP2C19LCK

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-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 SMN1; SMN2 3574/4885NPC1 1212/4885RAB9A 258/4885

“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.