SCHEMBL2068529

SCHEMBL2068529

COc1ccc(CNCCN(C=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ATM Q13315 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL2068095 0.77 SMN1; SMN2 (0.44) MEN1KMT2AGAAALDH1A1KDM4E
SCHEMBL21066542 0.76 MEN1 (0.54) CHRM2MEN1KMT2AATMALDH1A1
SCHEMBL10709257 0.75 CHRM2 (0.64) CHRM2MEN1KMT2AATMCA12
SCHEMBL2938432 0.74 CHRM2 (0.78) CHRM2MEN1KMT2AATMCA12
SCHEMBL4914700 0.72 CHRM2 (0.81) CHRM2MEN1KMT2AATMCA12
SCHEMBL4919379 0.72 CHRM2 (0.81) CHRM2MEN1KMT2AATMCA12
SCHEMBL5040557 0.72 CHRM2 (0.81) CHRM2MEN1KMT2AATMCA12
SCHEMBL2068019 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL14049087 0.71 CHRM2 (0.64) CHRM2MEN1KMT2AATMCA12
SCHEMBL15363355 0.70 CHRM2 (0.54) CHRM2MEN1KMT2AATMCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977332-B2 Insecticidal N-(heteroarylalkyl)alkanediamine derivatives FMC CORPORATION (US) 2011-07-12 US disclosed
US-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives FMC CORPORATION 2011-03-17 US disclosed
EP-1689231-A4 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-11-14 EP disclosed
CN-1889836-A Insecticidal n-(heteroarylalkyl)alkanediamine derivatives FMC CORP (US) 2007-01-03 CN disclosed
EP-1689231-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2006-08-16 EP disclosed
WO-2005055715-A2 INSECTICIDAL N-(HETEROARYLALKYL) ALKANEDIAMINE DERIVATIVES FMC CORPORATION (US) 2005-06-23 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-20110065710-A1 Insecticidal N-(Heteroarylalkyl)Alkanediamine Derivatives DDT, RABL6, ACHE CHRM2 29/4885MEN1 4125/4885KMT2A 3138/4885

“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.