SCHEMBL28357331

SCHEMBL28357331

O=C1CC(c2ccccn2)CN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
PARP16 Q8N5Y8 2/20 0.41
PARP3 Q9Y6F1 2/20 0.41
GSK3B P49841 1/20 0.40
PDE4A P27815 4/20 0.40
PDE4B Q07343 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6569434 0.84 CRBN (0.53) DDB1CRBNALDH1A1NPC1MAPT
SCHEMBL29967570 0.83 CRBN (0.56) MTNR1ADDB1CRBNALDH1A1NPC1
Hydrochloric Acid SCHEMBL29968157 0.81 CRBN (0.55) MTNR1ADDB1CRBNALDH1A1NPC1
SCHEMBL9194941 0.77 MTNR1A (0.46) MTNR1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL445499 0.77 MAPT (0.50) DDB1CRBNALDH1A1NPC1MAPT
SCHEMBL8271400 0.75 MTNR1A (0.38) MTNR1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL7897281 0.75 CHRNB4 (0.45) DDB1CRBNALDH1A1NPC1MAPT
SCHEMBL24366930 0.75 PDE4A (0.40) MTNR1AALDH1A1PDE4APDE4BPDE4C
SCHEMBL23264002 0.75 MTNR1A (0.39) MTNR1ADDB1CRBNALDH1A1PDE4A
SCHEMBL7568818 0.74 MAPT (0.52) DDB1CRBNALDH1A1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 EP claimed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 US disclosed
CN-110804061-B Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2021-01-05 CN disclosed
CN-110804061-A Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 CN 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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 MTNR1A 216/4885DDB1 2086/4885CRBN 685/4885

“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.