SCHEMBL748649

SCHEMBL748649

O=C(OCc1ccccc1)N1CCC(O)(c2ccc(OCc3ccccc3)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ENPP2 Q13822 1/20 0.45
ATXN2 Q99700 1/20 0.45
NOS2 P35228 1/20 0.44
KDM1A O60341 2/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGDR2 Q9Y5Y4 5/20 0.44
S1PR5 Q9H228 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PDK2 Q15119 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL750075 0.88 L3MBTL1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8316171 0.88 MEN1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29087291 0.86 PTGDR2 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6399505 0.82 MCHR1 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL2477870 0.82 L3MBTL1 (0.52) SCN5ASCN9AOPRD1OPRK1ALDH1A1
SCHEMBL751049 0.82 OPRD1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8317190 0.81 NOS2 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7506800 0.80 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6709536 0.79 SCN5A (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL749884 0.79 NOS2 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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-2430024-A1 [1,2,4]TRIAZOLO [4,3-B]PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR AstraZeneca AB (SE) 2012-03-21 EP disclosed
WO-2010131022-A1 [1,2,4] TRIAZOLO [4,3-B] PYRIDAZINES AS LIGANDS OF THE ANDROGEN RECEPTOR ASTRAZENECA AB (SE) 2010-11-18 WO disclosed
US-20100292222-A1 CHEMICAL COMPOUNDS 751 ASTRAZENECA AB (SE) 2010-11-18 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-20100292222-A1 CHEMICAL COMPOUNDS 751 AR, NR5A1, KLK3 MEN1 476/4885KMT2A 1270/4885NPSR1 52/4885

“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.