SCHEMBL2156740

SCHEMBL2156740

COC(=O)NCCC(O)C=C(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.40
ALDH1A1 P00352 1/20 0.33
GGPS1 O95749 5/20 0.33
FDPS P14324 5/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNA5 P22460 1/20 0.31

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
SCHEMBL2156367 0.71 KISS1R (0.32)
SCHEMBL5949707 0.71 EPHX1 (0.48) EPHX1GAAKCNA5
SCHEMBL27794042 0.71 EPHX1 (0.44) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL3190326 0.70 EPHX1 (0.61) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL26084965 0.69 EPHX1 (0.42) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL5949703 0.69 EPHX1 (0.50) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL6647158 0.68 EPHX1 (0.41) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL7113835 0.67 TET2 (0.46) MEN1KMT2A
SCHEMBL7765762 0.67 GABRR1 (0.50) EPHX1ALDH1A1MEN1GAAKMT2A
SCHEMBL20616625 0.67 EPHX1 (0.48) EPHX1MEN1GAAKMT2AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973082-B2 Substituted aryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2011-07-05 US disclosed
US-20090215905-A1 Novel substituted aryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors ANIONA APS (DK) 2009-08-27 US disclosed
US-20090023772-A1 Novel substituted heteroaryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2009-01-22 US disclosed
EP-1786778-A1 NOVEL SUBSTITUTED HETEROARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-05-23 EP disclosed
EP-1784381-A1 NOVEL SUBSTITUTED ARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2007-05-16 EP disclosed
WO-2006021564-A1 NOVEL SUBSTITUTED ARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-02 WO disclosed
WO-2006021565-A1 NOVEL SUBSTITUTED HETEROARYLOXY ALKYLAMINES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-02 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 (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-20090215905-A1 Novel substituted aryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors SLC6A2, SLC18A2, SLC6A3 EPHX1 904/4885ALDH1A1 592/4885GGPS1 3405/4885
US-20090023772-A1 Novel substituted heteroaryloxy alkylamines and their use as monoamine neurotransmitter re-uptake inhibitors SLC6A2, SLC18A2, SLC6A3 EPHX1 911/4885ALDH1A1 1136/4885GGPS1 3074/4885

“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.