SCHEMBL21534069

SCHEMBL21534069

C=C(C(C)NC(C)(C)C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.34
SLC6A2 P23975 5/20 0.32
CHRNA1 P02708 4/20 0.32
CHRNG P07510 4/20 0.32
CHRNB1 P11230 4/20 0.32
CHRNB2 P17787 4/20 0.32
CHRNB4 P30926 4/20 0.32
CHRNA3 P32297 4/20 0.32
CHRNA4 P43681 4/20 0.32
CHRND Q07001 4/20 0.32
SLC6A4 P31645 3/20 0.31
ITGA5 P08648 1/20 0.31
CYP2C19 P33261 1/20 0.31
HRH1 P35367 1/20 0.31
CHRNA7 P36544 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18806874 0.76
SCHEMBL23080188 0.75
SCHEMBL11207053 0.72 SLC6A3 (0.33) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL21471172 0.70
SCHEMBL18594704 0.69
SCHEMBL980416 0.69 SLC6A3 (0.39) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL18653492 0.68 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL14010448 0.68 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL14601332 0.68 SLC6A3 (0.42) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL1904763 0.67

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
WO-2022266753-A1 BIVALENT COMPOUNDS, CONJUGATES AND USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-12-29 WO disclosed
US-20190328893-A1 Conjugates And Conjugating Reagents Comprising A Linker That Includes At Least Two (-CH2-CH2-0-) Units In A Ring POLYTHERICS LIMITED (GB) 2019-10-31 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-20190328893-A1 Conjugates And Conjugating Reagents Comprising A Linker That Includes At Least Two (-CH2-CH2-0-) Units In A Ring BCR, CD2BP2, LANCL1 SLC6A3 4786/4885SLC6A2 4446/4885CHRNA1 3260/4885

“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.