SCHEMBL29317682

SCHEMBL29317682

CC(C)(C)N1CCCC2(CC1)CCN(C(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
OPRM1 P35372 1/20 0.41
GRIN1 Q05586 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL12212833 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12212834 0.92 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21670049 0.90 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL10204995 0.90 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL21670050 0.90 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL117165 0.89 GRIN2D (0.46) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23594052 0.89 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL15781123 0.87 GRIN2D (0.45) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL16624956 0.86 GRIN2D (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL24363770 0.81 USP2 (0.49) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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 1 patent. 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

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 GRIN2D 4518/4885GRIN3B 3379/4885CHRM2 4876/4885

“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.