SCHEMBL9846077

SCHEMBL9846077

CCCC(CN)C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.50
HTR2A P28223 4/20 0.45
AOC3 Q16853 3/20 0.43
MME P08473 2/20 0.42
HRH1 P35367 2/20 0.42
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
LMNA P02545 1/20 0.36

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
SCHEMBL29054023 0.88 MME (0.46) TAAR1HTR2AAOC3MMEHRH1
SCHEMBL29002686 0.84 TAAR1 (0.54) TAAR1HTR2AAOC3MMEHRH1
SCHEMBL3646327 0.84 TAAR1 (0.48) TAAR1HTR2AAOC3HRH1CHRNB2
SCHEMBL18863922 0.81 MME (0.42) TAAR1HTR2AAOC3MMEHRH1
SCHEMBL28218195 0.78 MME (0.43) TAAR1HTR2AAOC3MMEHRH1
SCHEMBL1936284 0.78 MME (0.40) TAAR1AOC3MMELMNA
SCHEMBL26720658 0.77 SLC7A5 (0.50) TAAR1HTR2AHRH1LMNA
SCHEMBL7692329 0.74 TAAR1 (0.56) TAAR1HTR2AAOC3LMNA
SCHEMBL1985899 0.74 GABBR2 (0.52) TAAR1HTR2AAOC3HRH1CHRNB2
SCHEMBL10581707 0.74 TAAR1 (0.56) TAAR1HTR2AAOC3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526239-B1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORP (KR) 2021-11-03 EP disclosed
US-11162104-B2 SCN9A antisense pain killer OLIPASS CORPORATION (KR) 2021-11-02 US disclosed
US-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2019-11-14 US disclosed
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES OLIPASS CORPORATION (KR) 2019-11-07 US disclosed
WO-2018069764-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2018-04-19 WO disclosed
EP-0424965-A1 Amine oxide process ETHYL CORPORATION (US) 1991-05-02 EP disclosed
US-4960934-A Amine oxide process ETHYL CORPORATION (US) 1990-10-02 US disclosed
US-4942260-A REACTION OF A TERT-AMINE WITH HYDROGEN PEROXIDE IN THE PRESENCE OF CATALYTIC CARBON DIOXIDE ETHYL CORPORATION (US) 1990-07-17 US disclosed
EP-0356918-A1 Amine oxide process ETHYL CORPORATION (US) 1990-03-07 EP disclosed
US-4889954-A DIALKYLCARBONATE CATALYST ETHYL CORPORATION (US) 1989-12-26 US disclosed
EP-0307184-A2 Preparation of Amine Oxides ETHYL CORPORATION (US) 1989-03-15 EP 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 (3 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-20190345202-A1 ANDROGEN RECEPTOR ANTISENSE OLIGONUCLEOTIDES AR, NR5A1, NR5A2 TAAR1 1900/4885HTR2A 1606/4885AOC3 4367/4885
US-20190337987-A1 EXON SKIPPING BY PEPTIDE NUCLEIC ACID DERIVATIVES PTBP1, RBM17, UPF1 TAAR1 4470/4885HTR2A 4665/4885AOC3 4867/4885
US-11162104-B2 SCN9A antisense pain killer SCN9A, SCN7A, SCN8A TAAR1 3403/4885HTR2A 2578/4885AOC3 4602/4885

“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.