SCHEMBL13437772

SCHEMBL13437772

CCS(=O)(=O)CCN1CCC(C(C)(C)O)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
HRH1 P35367 2/20 0.33
KCNH2 Q12809 2/20 0.33
PIK3CD O00329 4/20 0.32
PIK3R1 P27986 4/20 0.32
PIK3CA P42336 4/20 0.32
PIK3CB P42338 4/20 0.32
PIK3CG P48736 4/20 0.32
TACR2 P21452 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
MAPT P10636 1/20 0.32
CYP2J2 P51589 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL13437775 0.80 HRH1 (0.33) HRH1KCNH2
SCHEMBL4550212 0.78 DRD2 (0.42) SMN1; SMN2
SCHEMBL469147 0.77 CARM1 (0.47) HRH1KCNH2
SCHEMBL18173367 0.75 HRH1 (0.35) SMN1; SMN2ALOX15HRH1KCNH2
SCHEMBL13437773 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15KCNH2MAPT
SCHEMBL13437776 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15HRH1KCNH2MAPT
SCHEMBL20541135 0.74 SLC18A3 (0.42) ALOX15HRH1KCNH2LTA4H
SCHEMBL4550204 0.74 SMN1; SMN2 (0.45) SMN1; SMN2MAPTLTA4H
SCHEMBL7884661 0.74 KCNH2 (0.34) SMN1; SMN2ALOX15HRH1KCNH2MAPT
SCHEMBL441449 0.74 HRH1 (0.34) SMN1; SMN2ALOX15HRH1KCNH2

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-7683077-B2 Piperidine derivative AJINOMOTO CO., INC. (JP) 2010-03-23 US disclosed
US-20070021460-A1 Novel piperidine derivative AJINOMOTO CO., INC. (JP) 2007-01-25 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-20070021460-A1 Novel piperidine derivative HTR7, TPH1, HTR5A SMN1; SMN2 3936/4885ALOX15 355/4885HRH1 855/4885

“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.