SCHEMBL29317702

SCHEMBL29317702

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
GNAI3 P08754 9/20 0.48
GNAI1 P63096 9/20 0.48
GNAO1 P09471 8/20 0.48
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
CYP2D6 P10635 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ATM Q13315 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38

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 0.98 NPC1 (0.50) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL23922141 0.94 NPC1 (0.51) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL12793198 0.87 CYP2D6 (0.46) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL22147051 0.86 NPC1 (0.50) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL24926179 0.86 NPC1 (0.50) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL23594493 0.85 NPC1 (0.46) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL23594339 0.84 NPC1 (0.49) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL23594270 0.84 NPC1 (0.49) NPC1GNAI3GNAI1GNAO1ITGB3
SCHEMBL13964621 0.84 GNAI3 (0.62) NPC1GNAI3GNAI1GNAO1CYP2D6
SCHEMBL17471168 0.83 NPC1 (0.50) NPC1GNAI3GNAI1GNAO1ITGB3

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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 NPC1 999/4885GNAI3 3127/4885GNAI1 4093/4885

“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.