SCHEMBL16160776

SCHEMBL16160776

CC(C)C(=O)N1CCC1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.53
DPP4 P27487 13/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP7 Q9UHL4 7/20 0.33
FAP Q12884 5/20 0.33
DPP8 Q6V1X1 4/20 0.33
PREP P48147 3/20 0.33
DPP9 Q86TI2 3/20 0.33
PITRM1 Q5JRX3 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
SCHEMBL23408415 1.00 PIK3CD (0.53) PIK3CDDPP4CHRNB2CHRNA3CHRNA4
SCHEMBL24827448 1.00 PIK3CD (0.53) PIK3CDDPP4CHRNB2CHRNA3CHRNA4
SCHEMBL13252946 0.88 PIK3CD (0.50) PIK3CDDPP4DPP7FAPDPP8
SCHEMBL25099271 0.88 PIK3CD (0.50) PIK3CDDPP4DPP7FAPDPP8
SCHEMBL17471258 0.86 PIK3CD (0.49) PIK3CDDPP4DPP7FAPDPP8
SCHEMBL23408433 0.86 PIK3CD (0.49) PIK3CDDPP4DPP7FAPDPP8
SCHEMBL25099273 0.76 PIK3CD (0.51) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25099105 0.76 PIK3CD (0.51) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL25099107 0.76 PIK3CD (0.51) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL17323643 0.76 PIK3CD (0.41) PIK3CDDPP4CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102322-A1 CELL-PERMEABLE CYCLIC PEPTIDES AND USES THEREOF UNNATURAL PRODUCTS INC. (US) 2021-05-27 WO disclosed
US-20180170857-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-06-21 US disclosed
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 US disclosed
US-9938234-B2 PPAR agonists SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-04-10 US disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 US disclosed
US-20160023991-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2016-01-28 US disclosed
WO-2014165827-A1 PPAR AGONISTS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2014-10-09 WO 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 (2 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-20180170857-A1 PPAR AGONISTS PPARG, PPARD, PPARA PIK3CD 614/4885DPP4 743/4885CHRNB2 407/4885
US-20160023991-A1 PPAR AGONISTS PPARG, PPARD, PPARA PIK3CD 614/4885DPP4 743/4885CHRNB2 407/4885

“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.