SCHEMBL24378766

SCHEMBL24378766

CC(CCC(C)(C)C)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.40
CHRNA4 P43681 9/20 0.40
CHRNB4 P30926 7/20 0.40
RIPK1 Q13546 2/20 0.37
CHRNA3 P32297 5/20 0.35

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
SCHEMBL8616146 0.83 CHRNB2 (0.37) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL25939272 0.80 RIPK1 (0.32) RIPK1
SCHEMBL8616578 0.79 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL8618830 0.79 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27384069 0.79 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20852991 0.79 RIPK1 (0.34) RIPK1
SCHEMBL28680153 0.79 CHRNB2 (0.34) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL20683535 0.78 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL23584228 0.77 RIPK1 (0.33) RIPK1
SCHEMBL23425906 0.75 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3988606-A1 POLYROTAXANE COMPRISING LONG-CHAIN ALKYL GROUP IN CYCLIC MOLECULE, COMPOSITION COMPRISING SAID POLYROTAXANE, AND METHOD FOR PRODUCING SAID POLYROTAXANE ASM Inc. (JP) 2022-04-27 EP disclosed
US-8871304-B2 (Amide amino alkane) metal compound, method of manufacturing metal-containing thin film using said metal compound UBE INDUSTRIES, LTD. (JP) 2014-10-28 US disclosed
US-20130273250-A1 (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND UBE INDUSTRIES, LTD (JP) 2013-10-17 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-20130273250-A1 (AMIDE AMINO ALKANE) METAL COMPOUND, METHOD OF MANUFACTURING METAL-CONTAINING THIN FILM USING SAID METAL COMPOUND GNMT, SLC43A1, BET1 CHRNB2 2303/4885CHRNA4 1734/4885CHRNB4 2766/4885

“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.