SCHEMBL4168352

SCHEMBL4168352

Cc1cc(Cl)ccc1N1CCN(C(=O)C(C)(C)C)C(c2ccc(C(=O)c3ccncc3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.42
RIPK1 Q13546 7/20 0.41
AKR1C3 P42330 2/20 0.38
MEN1 O00255 1/20 0.37
IDE P14735 1/20 0.37
KMT2A Q03164 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
MC4R P32245 2/20 0.35
REV1 Q9UBZ9 1/20 0.35
SLC6A7 Q99884 1/20 0.35
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4166204 0.84 NR1H2 (0.42) GRM5RIPK1AKR1C3MEN1IDE
SCHEMBL4168350 0.81 MDM2 (0.43) GRM5RIPK1AKR1C3MEN1IDE
SCHEMBL4168355 0.81 MDM2 (0.43) GRM5RIPK1AKR1C3MEN1IDE
SCHEMBL4163911 0.80 AKR1C3 (0.38) GRM5RIPK1AKR1C3MEN1IDE
SCHEMBL4168263 0.76 NOTUM (0.44) RIPK1AKR1C3MEN1IDEKMT2A
SCHEMBL4167198 0.74 NR1H2 (0.42) RIPK1MEN1IDEKMT2ALMNA
SCHEMBL13699627 0.73 REV1 (0.47) RIPK1MEN1IDEKMT2ALMNA
SCHEMBL4158908 0.72 RIPK1 (0.39) GRM5RIPK1MEN1IDEKMT2A
SCHEMBL4162061 0.72 RIPK1 (0.38) GRM5RIPK1MEN1IDEKMT2A
SCHEMBL13699573 0.70 MDM2 (0.44) GRM5RIPK1AKR1C3MEN1IDE

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 GRM5 354/4885RIPK1 3742/4885AKR1C3 620/4885

“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.