SCHEMBL25216335

SCHEMBL25216335

C#CC(C)(O)c1cccc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.39
▸ CCR8 P51685 1/20 0.39
▸ ASIC3 Q9UHC3 1/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ RAB9A P51151 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GRM5 P41594 6/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL3511114 0.80 — —
SCHEMBL16132534 0.78 CCR1 (0.46) CCR1CCR8ASIC3KDM4EALDH1A1
SCHEMBL129020 0.78 CCR1 (0.46) CCR1CCR8ASIC3KDM4EALDH1A1
SCHEMBL25239087 0.77 PDE2A (0.33) SMN1; SMN2
SCHEMBL16132429 0.75 NOS3 (0.45) CCR1CCR8ASIC3KDM4EALDH1A1
SCHEMBL20910015 0.75 CCR1 (0.43) CCR1CCR8ASIC3KDM4EALDH1A1
SCHEMBL958741 0.73 CCR1 (0.50) CCR1CCR8KDM4EALDH1A1HPGD
SCHEMBL77262 0.73 CCR1 (0.50) CCR1CCR8KDM4EALDH1A1HPGD
SCHEMBL13821747 0.73 CCR1 (0.50) CCR1CCR8KDM4EALDH1A1HPGD
SCHEMBL29380771 0.73 CCR1 (0.50) CCR1CCR8KDM4EALDH1A1HPGD

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
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 — — EP disclosed
US-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-06-08 — — 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-20230174514-A1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS CCR6, CCR1, CCR3 CCR1 2/4885CCR8 5/4885ASIC3 800/4885

“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.

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