SCHEMBL13699554

SCHEMBL13699554

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCOCC3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.49
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RIPK1 Q13546 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MDM2 Q00987 1/20 0.39
SLC6A9 P48067 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
PIK3CD O00329 1/20 0.38

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
SCHEMBL4167781 0.89 RIPK1 (0.45) AKR1C3MAPTSMN1; SMN2RIPK1MEN1
SCHEMBL4167779 0.89 RIPK1 (0.45) AKR1C3MAPTSMN1; SMN2RIPK1MEN1
SCHEMBL13699557 0.89 AKR1C3 (0.50) AKR1C3MAPTSMN1; SMN2LMNAHPGD
SCHEMBL13699556 0.87 AKR1C3 (0.51) AKR1C3MAPTSMN1; SMN2RIPK1MEN1
SCHEMBL13699555 0.85 HTT (0.52) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4160826 0.85 RIPK1 (0.44) RIPK1MEN1KMT2AMDM2
SCHEMBL4160818 0.85 RIPK1 (0.44) RIPK1MEN1KMT2AMDM2
SCHEMBL13699575 0.85 RIPK1 (0.41) MAPTRIPK1MEN1KMT2ALMNA
SCHEMBL13699633 0.84 AKR1C3 (0.48) AKR1C3MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL13699576 0.83 RIPK1 (0.39) MAPTRIPK1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
WO-2007057687-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY VERNALIS (R & D) LIMITED (GB) 2007-05-24 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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy CNR2, CNR1, ALK AKR1C3 620/4885MAPT 3800/4885SMN1; SMN2 422/4885

“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.