SCHEMBL13699555

SCHEMBL13699555

CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CN(C(=O)C(C)(C)C)CCN3c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CNR1 P21554 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR119 Q8TDV5 6/20 0.45
NAMPT P43490 1/20 0.45
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
STS P08842 1/20 0.43
ALOX5 P09917 1/20 0.43
TSHR P16473 1/20 0.43

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 0.88 RIPK1 (0.45) HTTNPSR1SMN1; SMN2MAPTLMNA
SCHEMBL4167781 0.88 RIPK1 (0.45) HTTNPSR1SMN1; SMN2MAPTLMNA
SCHEMBL13699638 0.87 SMN1; SMN2 (0.49) HTTNPSR1SMN1; SMN2MAPTLMNA
SCHEMBL13699556 0.86 AKR1C3 (0.51) HTTNPSR1SMN1; SMN2MAPTLMNA
SCHEMBL13699554 0.85 AKR1C3 (0.49) HTTNPSR1SMN1; SMN2MAPTLMNA
SCHEMBL4154819 0.83 CNR1 (0.48) HTTNPSR1SMN1; SMN2LMNACNR1
SCHEMBL4160818 0.82 RIPK1 (0.44) MEN1KMT2A
SCHEMBL4160826 0.82 RIPK1 (0.44) MEN1KMT2A
SCHEMBL4177222 0.82 CNR1 (0.47) HTTNPSR1SMN1; SMN2LMNAALDH1A1
SCHEMBL13699575 0.82 RIPK1 (0.41) HTTNPSR1MAPTLMNAALDH1A1

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 1 patent. 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

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 HTT 2006/4885NPSR1 36/4885SMN1; 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.