SCHEMBL4167780

SCHEMBL4167780

CN1CCN(c2ccc(C3CN(c4ccc(Cl)cc4)CCN3C(=O)C(C)(C)C)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.51
RIPK1 Q13546 3/20 0.47
DRD4 P21917 5/20 0.45
DRD2 P14416 4/20 0.45
MAPKAPK2 P49137 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
NOTUM Q6P988 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 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
SCHEMBL4160820 0.88 SLC6A9 (0.48) SLC6A9RIPK1DRD4DRD2MEN1
SCHEMBL4167781 0.81 RIPK1 (0.45) RIPK1DRD4DRD2MAPKAPK2L3MBTL1
SCHEMBL4167779 0.81 RIPK1 (0.45) RIPK1DRD4DRD2MAPKAPK2L3MBTL1
SCHEMBL27839601 0.79 SLC6A9 (0.60) SLC6A9L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL25326556 0.78 RIPK1 (0.42) RIPK1MEN1KMT2AALDH1A1LMNA
SCHEMBL18701971 0.76 RIPK1 (0.72) RIPK1CCNCCDK8
SCHEMBL25917422 0.75 NR1H2 (0.43) RIPK1ALDH1A1LMNAMAPTHDAC4
SCHEMBL4168263 0.74 NOTUM (0.44) RIPK1MEN1KMT2ALMNAMAPK1
SCHEMBL4166204 0.73 NR1H2 (0.42) RIPK1DRD4DRD2MEN1KMT2A
SCHEMBL18701796 0.72 LMNA (0.63) DRD4DRD2L3MBTL1MEN1KMT2A

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 SLC6A9 1991/4885RIPK1 3742/4885DRD4 1007/4885

“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.