SCHEMBL29339679

SCHEMBL29339679

CC(C)C(=O)OCC1CCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.45
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL19765231 0.91 NCF1 (0.41) CHRM3
SCHEMBL9967748 0.78 SLC1A3 (0.38)
SCHEMBL15784488 0.77 FAAH (0.40) CHRNB2CHRNA3CHRNA4
SCHEMBL19765230 0.77 HDAC3 (0.41)
SCHEMBL23870932 0.77 HTR4 (0.39) CHRM3
SCHEMBL19651224 0.77 NCF1 (0.42) CHRM3
SCHEMBL25142026 0.77 CHRNB2 (0.48) CHRM3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL1813937 0.76 CHRM3 (0.43) CHRM3
SCHEMBL8276623 0.76 CHRM3 (0.43) CHRM3
SCHEMBL20666141 0.76 BRD4 (0.41) CHRM3CHRNB4CHRNA3

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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CHRM3 1070/4885CHRNB2 2058/4885CHRNB4 2409/4885

“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.