SCHEMBL2318844

SCHEMBL2318844

CCOC(=O)CC1CCN2C(=O)CCC2C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
FKBP1A P62942 1/20 0.34
FKBP4 Q02790 1/20 0.34
FKBP5 Q13451 1/20 0.34
PARP14 Q460N5 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL12283793 1.00 AKR1C3 (0.43) AKR1C3AKR1C2POLBALDH1A1MAPT
SCHEMBL12283890 0.80 ALDH1A1 (0.39) AKR1C3AKR1C2POLBALDH1A1MAPT
SCHEMBL2319362 0.80 ALDH1A1 (0.39) AKR1C3AKR1C2POLBALDH1A1MAPT
SCHEMBL2318382 0.79 POLB (0.42) POLBALDH1A1MAPTKMT2ACYP2D6
SCHEMBL17872620 0.78 POLB (0.43) AKR1C3AKR1C2POLBALDH1A1KMT2A
SCHEMBL17872617 0.78 POLB (0.43) AKR1C3AKR1C2POLBALDH1A1KMT2A
SCHEMBL24667087 0.78 TDP1 (0.36) AKR1C3AKR1C2ALDH1A1
SCHEMBL22052762 0.78 TDP1 (0.36) AKR1C3AKR1C2ALDH1A1
SCHEMBL22052763 0.78 TDP1 (0.36) AKR1C3AKR1C2ALDH1A1
SCHEMBL21739121 0.78 TDP1 (0.36) AKR1C3AKR1C2ALDH1A1

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 3 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
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

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 AKR1C3 872/4885AKR1C2 989/4885POLB 4553/4885

“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.