SCHEMBL21899199

SCHEMBL21899199

CC(C)(C)NCC1CCCN(CCCc2cccc(CCCCCOC(C)(C)C)c2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CHRNB2 P17787 10/20 0.42
CHRNA4 P43681 10/20 0.42
CHRNB4 P30926 9/20 0.40
CHRNA3 P32297 9/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL24021873 0.90 HRH3 (0.43) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20128707 0.81 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20325651 0.79 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL24654227 0.79 CHRNB4 (0.42) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL14944847 0.76 CARM1 (0.53) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20317557 0.75 KDM4E (0.44) HRH3
SCHEMBL21025871 0.73 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL20128699 0.71 HRH3 (0.43) SLC6A2SLC6A4SLC6A3CHRNB2CHRNA4
SCHEMBL21906886 0.70 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20812669 0.70 ALDH1A1 (0.36) MEN1KMT2A

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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN SLC6A2 4744/4885SLC6A4 4819/4885SLC6A3 4620/4885

“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.