SCHEMBL23922141

SCHEMBL23922141

CC(C)(C)CCCC(=O)N1CCC(C(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
GNAI3 P08754 8/20 0.43
GNAO1 P09471 8/20 0.43
GNAI1 P63096 8/20 0.43
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
EPHX2 P34913 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL23594627 0.95 NPC1 (0.50) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL29317702 0.94 NPC1 (0.49) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL12793198 0.90 CYP2D6 (0.46) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL20939041 0.85 GNAI3 (0.55) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL13964621 0.83 GNAI3 (0.62) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL17471167 0.83 NPC1 (0.51) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL25474715 0.82 NPC1 (0.54) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL17471168 0.82 NPC1 (0.50) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL24926179 0.82 NPC1 (0.50) NPC1CYP2D6KCNH2HRH3GNAI3
SCHEMBL23594493 0.81 NPC1 (0.46) NPC1CYP2D6KCNH2HRH3GNAI3

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-11242337-B2 Compounds useful for treating gastrointestinal tract disorders ARDELYX, INC. (US) 2022-02-08 US disclosed
US-11147884-B2 Inhibitors of NHE-mediated antiport ARDELYX, INC. (US) 2021-10-19 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 (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-11242337-B2 Compounds useful for treating gastrointestinal tract disorders SLC10A2, FABP2, SLC10A1 NPC1 587/4885CYP2D6 1549/4885KCNH2 2225/4885
US-11147884-B2 Inhibitors of NHE-mediated antiport SLC10A1, SLC10A2, SLC9A2 NPC1 212/4885CYP2D6 1503/4885KCNH2 572/4885

“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.