SCHEMBL1374885

SCHEMBL1374885

[CH2]N1CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.41
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL11206485 0.72 POLB (0.37) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL19249449 0.72 POLB (0.37) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL254096 0.72 KMT2A (0.40) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL2236435 0.71
SCHEMBL1809810 0.71 L3MBTL1 (0.32) POLBKDM4EKMT2AALDH1A1LMNA
SCHEMBL3227390 0.69 HRH3 (0.43) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL10574287 0.67 SIGMAR1 (0.36) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL5665559 0.67
SCHEMBL24911028 0.67 POLB (0.38) POLBKDM4EKMT2AALDH1A1MAPK1
SCHEMBL12706319 0.67 POLB (0.40) POLBKDM4EKMT2AALDH1A1MAPK1

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-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US claimed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 US claimed
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
US-7601856-B2 Benzofurans as potassium ion channel modulators WYETH (US) 2009-10-13 US disclosed
US-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide WYETH (US) 2008-01-31 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-20080027049-A1 Such as 2,2-Dimethyl-N-(6,7,8,9-tetrahydro-dibenzofuran-2-yl)-propionamide KCNJ2, KCNJ5, KCNA5 POLB 4205/4885KDM4E 262/4885KMT2A 525/4885
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 POLB 2626/4885KDM4E 2688/4885KMT2A 3292/4885

“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.