SCHEMBL4154817

SCHEMBL4154817

CC(c1ccc(C2CN(c3ccc(Cl)cc3F)CCN2C(=O)C(C)(C)C)cc1)N1CCCNCC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP3A5 P20815 2/20 0.34
MC4R P32245 4/20 0.33
RIPK1 Q13546 3/20 0.33
MAPKAPK2 P49137 1/20 0.33
NR1H2 P55055 2/20 0.32
NR1H3 Q13133 2/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRM4 P08173 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL4154815 0.85 CYP3A4 (0.39) F10CYP3A4CYP3A5MC4RLMNA
SCHEMBL13699551 0.85 CYP3A4 (0.39) F10CYP3A4CYP3A5MC4RLMNA
SCHEMBL4162061 0.84 RIPK1 (0.38) CYP3A4CYP3A5MC4RRIPK1NR1H2
SCHEMBL13699630 0.81 CYP3A4 (0.41) F10CYP3A4CYP3A5MC4RRIPK1
SCHEMBL4160962 0.81 MAPT (0.35) CYP3A4CYP3A5MC4RNR1H2NR1H3
SCHEMBL4167198 0.79 NR1H2 (0.42) MC4RRIPK1NR1H2NR1H3LMNA
SCHEMBL4158908 0.78 RIPK1 (0.39) CYP3A4CYP3A5MC4RRIPK1NR1H2
SCHEMBL13699636 0.76 MDM2 (0.38) F10MC4RCHRM2CHRM1
SCHEMBL13699661 0.72 MDM2 (0.40) F10MC4RMAPKAPK2CHRM2CHRM1
SCHEMBL4178187 0.72 HRH4 (0.37) MC4RRIPK1NR1H2NR1H3LMNA

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 F10 4002/4885CYP3A4 1990/4885CYP3A5 1203/4885

“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.