SCHEMBL271824

SCHEMBL271824

O=[C]OCCC1CCCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
CYP2D6 P10635 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
ADRA2B P18089 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
SCHEMBL5258297 0.86 HRH3 (0.38) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL30697298 0.76 CYP2D6 (0.42) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL28653322 0.76 CYP2D6 (0.47) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL3349213 0.75 FDPS (0.42) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL271160 0.75 CYP2D6 (0.41) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL14043157 0.75 FDPS (0.42) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL6975565 0.75
SCHEMBL7349456 0.75 CYP2D6 (0.46) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL31314323 0.75 CYP2D6 (0.41) KMT2ACYP2D6MEN1LMNATP53
SCHEMBL5671994 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP disclosed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 KMT2A 2435/4885CYP2D6 23/4885MEN1 2756/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 KMT2A 2435/4885CYP2D6 23/4885MEN1 2756/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 KMT2A 2435/4885CYP2D6 23/4885MEN1 2756/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 KMT2A 2435/4885CYP2D6 23/4885MEN1 2756/4885

“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.