SCHEMBL2318382

SCHEMBL2318382

CCOC(=O)C[C@H]1CCN2C(=O)OC[C@H]2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PARP14 Q460N5 1/20 0.33
GAA P10253 1/20 0.33
KCNH2 Q12809 1/20 0.32
GRIN2B Q13224 1/20 0.32
HTT P42858 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
SCHEMBL2315449 0.81 ALDH1A1 (0.34) POLBALDH1A1MAPTHTT
SCHEMBL12283793 0.79 AKR1C3 (0.43) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2318844 0.79 AKR1C3 (0.43) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL17872828 0.78 POLB (0.40) POLBALDH1A1KMT2ASMN1; SMN2PARP14
SCHEMBL17872826 0.78 POLB (0.40) POLBALDH1A1KMT2ASMN1; SMN2PARP14
SCHEMBL12283790 0.75 POLB (0.36) POLBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL20767286 0.71 POLB (0.43) POLBALDH1A1KMT2AKCNH2GRIN2B
SCHEMBL20767256 0.71 POLB (0.43) POLBALDH1A1KMT2AKCNH2GRIN2B
SCHEMBL20781012 0.71 POLB (0.43) POLBALDH1A1KMT2AKCNH2GRIN2B
SCHEMBL20767200 0.71 POLB (0.43) POLBALDH1A1KMT2AKCNH2GRIN2B

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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
US-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2011-09-22 US disclosed
EP-2352730-A2 BIOLOGICALLY ACTIVE AMIDES H. Lundbeck A/S (DK) 2011-08-10 EP disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 WO disclosed
WO-2010053861-A2 BIOLOGICALLY ACTIVE AMIDES H. LUNDBECK A/S (DK) 2010-05-14 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-20110230497-A1 BIOLOGICALLY ACTIVE AMIDES NPY5R, NPY1R, NPY2R POLB 4553/4885ALDH1A1 3024/4885MAPT 2111/4885

“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.