SCHEMBL29587443

SCHEMBL29587443

NP(N)OCc1ccc(F)cc1C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.40
IDO1 P14902 4/20 0.35
AGXT P21549 2/20 0.35
HTR2C P28335 7/20 0.32
HTR2A P28223 6/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
HTR2B P41595 5/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL29088975 0.70 MAPK14 (0.33) HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL2487946 0.67 SLC5A2 (0.36) HTR2CHTR2AHTR2B
SCHEMBL30228097 0.66 KDM1A (0.35) HTR2CHTR2AKDM1AKDM1BHTR2B
SCHEMBL12553033 0.66 HTR2C (0.37) HTR2CHTR2AKDM1AKDM1BSLC6A2
SCHEMBL1875659 0.66 KDM1A (0.35) HTR2CHTR2AKDM1AKDM1BHTR2B
SCHEMBL5040961 0.66 HTR2C (0.47) HTR2CHTR2AKDM1AKDM1BHTR2B
SCHEMBL3336712 0.63 SLC6A4 (0.50) HTR2CHTR2AHTR2BSLC6A2SLC6A4
SCHEMBL12656462 0.63 KDM1A (0.34) HTR2CHTR2AKDM1AKDM1BHTR2B
SCHEMBL31725635 0.63 KDM1A (0.34) HTR2CHTR2AKDM1AKDM1BHTR2B
SCHEMBL21505478 0.63 CYP11B1 (0.45) HTR2CHTR2AKDM1AKDM1BHTR2B

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 HTR1A 3685/4885IDO1 3984/4885AGXT 1327/4885
US-20240425542-A1 CYCLIC DEOXYRIBONUCLEOTIDE COMPOUNDS DPYD, TYMP, TYMS HTR1A 3685/4885IDO1 3984/4885AGXT 1327/4885
US-12110311-B2 Cyclic deoxyribonucleotide compounds DPYD, TYMP, TYMS HTR1A 3685/4885IDO1 3984/4885AGXT 1327/4885
US-11427550-B2 5-fluorouracil compounds DPYD, DHFR, MTHFD1 HTR1A 328/4885IDO1 3948/4885AGXT 926/4885

“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.