SCHEMBL13699556

SCHEMBL13699556

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2)[C@H](c2ccc(N3CCN(c4ccncc4)CC3)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.51
TRPV1 Q8NER1 1/20 0.47
RIPK1 Q13546 2/20 0.46
GRM5 P41594 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 4/20 0.41
IDE P14735 1/20 0.41
MDM2 Q00987 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP21A2 P08686 1/20 0.40

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
SCHEMBL4167779 0.89 RIPK1 (0.45) AKR1C3RIPK1MEN1KMT2ALMNA
SCHEMBL4167781 0.89 RIPK1 (0.45) AKR1C3RIPK1MEN1KMT2ALMNA
SCHEMBL13699554 0.87 AKR1C3 (0.49) AKR1C3RIPK1MEN1KMT2ALMNA
SCHEMBL13699555 0.86 HTT (0.52) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL13699641 0.84 AKR1C3 (0.50) AKR1C3TRPV1GRM5MEN1KMT2A
SCHEMBL4160818 0.84 RIPK1 (0.44) RIPK1MEN1KMT2AMDM2
SCHEMBL4160826 0.84 RIPK1 (0.44) RIPK1MEN1KMT2AMDM2
SCHEMBL13699575 0.83 RIPK1 (0.41) RIPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL13699576 0.82 RIPK1 (0.39) RIPK1MEN1KMT2ALMNAALDH1A1
SCHEMBL13699577 0.82 RIPK1 (0.39) RIPK1MEN1KMT2ALMNAALDH1A1

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 620/4885TRPV1 153/4885RIPK1 3742/4885

“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.