SCHEMBL26005665

SCHEMBL26005665

Oc1ccc2c(c1Br)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
KDM4E B2RXH2 2/20 0.35
DRD4 P21917 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AOC3 Q16853 1/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL25352352 0.82 AOC3 (0.38) ALOX5AOC3POLB
SCHEMBL12023077 0.78 ALOX5 (0.47) ALOX5MAPTHTTLMNANPC1
SCHEMBL7199713 0.75 ALOX5 (0.44) ALOX5MAPTHTTLMNANPC1
SCHEMBL22827024 0.75 MAPT (0.38) MAPTHTTLMNABLMITGB2
SCHEMBL29619656 0.75 MAPT (0.38) MAPTHTTLMNABLMITGB2
SCHEMBL25166294 0.75 LMNA (0.38) MAPTHTTLMNABLMNPC1
SCHEMBL25352397 0.75 ALOX5 (0.44) ALOX5MAPTHTTLMNANPC1
SCHEMBL25166705 0.75 HTT (0.38) MAPTHTTLMNABLMNPC1
SCHEMBL25166334 0.75 LMNA (0.38) MAPTHTTLMNABLMNPC1
SCHEMBL30329793 0.75 LMNA (0.38) MAPTHTTLMNABLMNPC1

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 ALOX5 3449/4885MAPT 1011/4885HTT 1341/4885
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 ALOX5 3130/4885MAPT 1150/4885HTT 1734/4885

“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.