SCHEMBL22801232

SCHEMBL22801232

CC(C)N(C(C)C)P(OCCc1ccc(F)cc1)N(C(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.42
AOC3 Q16853 1/20 0.40
ELOVL1 Q9BW60 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 3/20 0.35
TRPA1 O75762 1/20 0.35
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL22801183 0.90 TAAR1 (0.40) TAAR1AOC3ELOVL1SLC6A2SLC6A4
SCHEMBL22801204 0.85 CYP1A2 (0.38) TAAR1MEN1MAPTKMT2AMAOB
SCHEMBL21177998 0.83 IDO1 (0.42) TAAR1AOC3SLC6A2SLC6A4SLC6A3
SCHEMBL21178001 0.83 CA1 (0.41) TAAR1AOC3MEN1KMT2A
SCHEMBL22801251 0.81 TAAR1 (0.47) TAAR1SLC6A2SLC6A4SLC6A3MAOB
SCHEMBL22801234 0.78 IDO1 (0.39) SLC6A2SLC6A4SLC6A3KDM4EMAOB
SCHEMBL7024544 0.77 KCNH2 (0.46) KDM4EMAPT
SCHEMBL22801238 0.75 TAAR1 (0.32) TAAR1
SCHEMBL22801250 0.75 KDM4E (0.34) TAAR1SLC6A2SLC6A4KDM4E
SCHEMBL22801249 0.74 TAAR1 (0.45) TAAR1AOC3SLC6A2SLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425542-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS NUCORION PHARMACEUTICALS INC (US) 2024-12-26 US disclosed
US-12110311-B2 Cyclic deoxyribonucleotide compounds NUCORION PHARMACEUTICALS, INC. (US) 2024-10-08 US disclosed
US-20220298199-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2022-09-22 US disclosed
US-11427550-B2 5-fluorouracil compounds NUCORION PHARMACEUTICALS, INC. (US) 2022-08-30 US disclosed
EP-3999519-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2022-05-25 EP disclosed
WO-2021011692-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS NUCORION PHARMACEUTICALS, INC. (US) 2021-01-21 WO disclosed
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS NUCORION PHARMACEUTICALS, INC. 2020-12-24 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 (5 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-20220298199-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS DPYD, TYMP, TYMS TAAR1 4404/4885AOC3 3016/4885ELOVL1 1882/4885
US-20200399227-A1 5-FLUOROURACIL COMPOUNDS DPYD, DHFR, FAU TAAR1 4315/4885AOC3 2720/4885ELOVL1 2186/4885
US-20240425542-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS DPYD, TYMP, TYMS TAAR1 4404/4885AOC3 3016/4885ELOVL1 1882/4885
US-12110311-B2 Cyclic deoxyribonucleotide compounds DPYD, TYMP, TYMS TAAR1 4404/4885AOC3 3016/4885ELOVL1 1882/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 TAAR1 3838/4885AOC3 1560/4885ELOVL1 1377/4885

“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.