SCHEMBL26009341

SCHEMBL26009341

CC(C)c1ccc2c(c1)OC(CC(C)c1ccc3c(c1)OCCO3)O2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 2/20 0.42
AOC3 Q16853 1/20 0.42
ALDH1A1 P00352 3/20 0.40
TRPV1 Q8NER1 1/20 0.39
KDM1A O60341 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL24444228 0.81 AOC3 (0.41) HPGDHTTAOC3ALDH1A1SMN1; SMN2
SCHEMBL71414 0.80 PTGS1 (0.62) PTGS1PTGS2HTTAOC3TRPV1
SCHEMBL22193476 0.78 ACHE (0.41) GAAHPGDALDH1A1SMN1; SMN2POLB
SCHEMBL25725272 0.78 CYP1A2 (0.39) GAAHPGDHTTALDH1A1SMN1; SMN2
SCHEMBL24421194 0.78 SMN1; SMN2 (0.32) HPGDALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26459076 0.77 CYP1A2 (0.38) GAAHPGDHTTSMN1; SMN2TP53
SCHEMBL15982277 0.75 PTGS1 (0.57) PTGS1PTGS2GAAHTTAOC3
SCHEMBL15982321 0.75 PTGS1 (0.57) PTGS1PTGS2GAAHTTAOC3
SCHEMBL11928867 0.75 PTGS1 (0.57) PTGS1PTGS2GAAHTTAOC3
SCHEMBL15982273 0.75 PTGS1 (0.57) PTGS1PTGS2GAAHTTAOC3

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
US-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-09-14 US disclosed
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY 2023-08-17 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 (2 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-20230286991-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM3, CHRM5 PTGS1 2267/4885PTGS2 2956/4885GAA 3398/4885
US-20230257381-A1 7-(PIPERIDIN-1-YL)-4H-PYRIMIDO[1,2-B]PYRIDAZIN-4-ONE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 CHRM4, CHRM1, CHRM5 PTGS1 1907/4885PTGS2 2867/4885GAA 3576/4885

“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.