SCHEMBL3015083

SCHEMBL3015083

O=C(O)N1CCC(C(=O)OCC2c3ccccc3-c3ccccc32)(c2ccc(Br)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 1/20 0.43
OPRM1 P35372 7/20 0.42
OPRD1 P41143 6/20 0.42
OPRK1 P41145 6/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
FABP7 O15540 1/20 0.38
FABP5 Q01469 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
SCHEMBL5221990 0.92 MEN1 (0.49) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL5197854 0.89 OPRM1 (0.47) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL3015079 0.86 KMT2A (0.42) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL4630456 0.80 OPRD1 (0.36) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL119410 0.78 KMT2A (0.49) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL3030476 0.77 HSD11B1 (0.38) KMT2AFABP7FABP5
SCHEMBL3032315 0.77 HSD11B1 (0.47) KMT2AFABP7FABP5
SCHEMBL4630450 0.77 SMN1; SMN2 (0.37) KMT2ARAB9A
SCHEMBL4873237 0.76 HSD11B1 (0.43) MEN1KMT2ARAB9AOPRM1OPRD1
SCHEMBL22960725 0.75 KMT2A (0.42) MEN1KMT2ARAB9AOPRM1OPRD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2010-08-19 US disclosed
EP-1919875-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS Astex Therapeutics Limited (GB) 2008-05-14 EP disclosed
EP-1904451-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS Astex Therapeutics Limited (GB) 2008-04-02 EP disclosed
WO-2006136829-A2 PYRAZOLE DERIVATIVES AND THEIR USE AS PKA AND PKB MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO disclosed
WO-2006136830-A1 ARYL-ALKYLAMINES AND HETEROARYL-ALKYLAMINES AS PROTEIN KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2006-12-28 WO 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-20100210617-A1 Aryl-Alkylamines And Heteroaryl-Alkylamines As Protein Kinase Inhibitors ERBB2, ABL1, GRK2 MEN1 2076/4885KMT2A 26/4885RAB9A 981/4885

“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.