SCHEMBL20021544

SCHEMBL20021544

CC1COc2cc(C(C)C)ccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 4/20 0.36
NPSR1 Q6W5P4 3/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
LTA4H P09960 1/20 0.34
HPGD P15428 1/20 0.34
KDM1A O60341 3/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
MAPT P10636 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
SCHEMBL23949380 0.93 LTB4R (0.41) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL22482449 0.82 MEN1 (0.35) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL24854078 0.79 LTB4R (0.39) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL10054037 0.77 CREBBP (0.45) KMT2AGAAMAPT
SCHEMBL13341117 0.76 PTGS1 (0.43) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL13341110 0.76 PTGS1 (0.47) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL20445455 0.76 AOC3 (0.36) PTGS1PTGS2MEN1KMT2AHTT
SCHEMBL70919 0.76 CYP1A2 (0.41) LTB4RLTB4R2PTGS1PTGS2MEN1
SCHEMBL18812630 0.75 CA2 (0.48) HTTMAOBMAPT
SCHEMBL11765525 0.75 CHRNB4 (0.52) CYP3A4MAOAMAOB

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
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
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 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 (3 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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P LTB4R 3508/4885LTB4R2 3798/4885PTGS1 276/4885
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 LTB4R 492/4885LTB4R2 737/4885PTGS1 2267/4885
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 LTB4R 543/4885LTB4R2 713/4885PTGS1 1907/4885

“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.