SCHEMBL4158908

SCHEMBL4158908

CC(C)(C)C(=O)N1CCN(c2ccc(Cl)cc2F)CC1c1ccc(C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
MAPT P10636 2/20 0.35
MC4R P32245 2/20 0.35
MEN1 O00255 1/20 0.35
IDE P14735 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
SLC6A9 P48067 1/20 0.34

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
SCHEMBL4167198 0.88 NR1H2 (0.42) RIPK1ALDH1A1LMNAMAPK1NR1H2
SCHEMBL4162061 0.85 RIPK1 (0.38) RIPK1LMNAMAPK1NR1H2NR1H3
SCHEMBL4158912 0.81 MDM2 (0.46) RIPK1ALDH1A1LMNAMAPK1MC4R
SCHEMBL4158906 0.81 MDM2 (0.46) RIPK1ALDH1A1LMNAMAPK1MC4R
SCHEMBL4178187 0.80 HRH4 (0.37) RIPK1SMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL4168263 0.79 NOTUM (0.44) RIPK1LMNAMAPK1NR1H2NR1H3
SCHEMBL4154817 0.78 F10 (0.34) RIPK1LMNAMAPK1NR1H2NR1H3
SCHEMBL4166204 0.77 NR1H2 (0.42) RIPK1LMNAMAPK1NR1H2NR1H3
SCHEMBL4168352 0.72 GRM5 (0.42) RIPK1SMN1; SMN2LMNAMAPK1MC4R
SCHEMBL4163911 0.72 AKR1C3 (0.38) RIPK1LMNAMAPK1NR1H2NR1H3

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-20090221582-A1 Piperazine Derivatives And Their Use In Therapy VERNALIS (R&D) (GB) 2009-09-03 US disclosed
EP-1960391-A1 PIPERAZINE DERIVATIVES AND THEIR USE IN THERAPY Vernalis (R&D) Limited (GB) 2008-08-27 EP 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 RIPK1 3742/4885SMN1; SMN2 422/4885ALDH1A1 1066/4885

“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.