SCHEMBL25239087

SCHEMBL25239087

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ PHGDH O43175 1/20 0.32
▸ NFE2L2 Q16236 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ PTGES2 Q9H7Z7 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ ELANE P08246 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL22621615 0.80 HCRTR1 (0.40) MAPTMAPK1BTKPHGDHGABRA1
SCHEMBL25204669 0.80 PDE2A (0.34) PDE2AMAPTMAPK1BTKPHGDH
SCHEMBL3511114 0.79 — —
SCHEMBL16521125 0.78 SMN1; SMN2 (0.39) MAPTMAPK1BTKPHGDHGABRA1
SCHEMBL25216335 0.77 CCR1 (0.39) SMN1; SMN2
SCHEMBL179298 0.76 BTK (0.39) PDE2AMAPTMAPK1BTKPHGDH
SCHEMBL25217067 0.73 CYP2C19 (0.35) PDE2ASMN1; SMN2
SCHEMBL31708045 0.73 CYP2C19 (0.35) PDE2ASMN1; SMN2
SCHEMBL22621613 0.73 GABRA1 (0.40) BTKPHGDHNFE2L2GABRA1GABRG2
SCHEMBL28413544 0.73 TAAR1 (0.37) MAPTMAPK1BTKPHGDHGABRA1

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 3 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
CN-109810110-B Compound with 2-aminopyrimidine structure, preparation method and application thereof 中国科学院上海药物研究所 2023-01-24 — — 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 PDE2A 2055/4885MAPT 3493/4885MAPK1 947/4885

“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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