SCHEMBL4483290

SCHEMBL4483290

CC(C)(C)C(=O)N1CCN(C(CCCC(N)=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.45
SLC6A3 Q01959 5/20 0.45
SLC6A4 P31645 5/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TNF P01375 1/20 0.40
CYP3A4 P08684 3/20 0.38
CYP3A5 P20815 3/20 0.38
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL4470461 0.75 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4TNF
SCHEMBL4475063 0.70 TNF (0.45) SLC6A2SLC6A3SLC6A4TNFALDH1A1
SCHEMBL18701803 0.67 MAPT (0.65) MEN1KMT2ACYP3A4ALDH1A1LMNA
SCHEMBL4483285 0.67 MCHR1 (0.44)
SCHEMBL4477153 0.66 TNF (0.40) SLC6A2SLC6A3SLC6A4TNFCYP3A4
SCHEMBL8475083 0.66 TACR1 (0.39) MEN1KMT2AALDH1A1CNR1CNR2
SCHEMBL18702064 0.64 KMT2A (0.56) MEN1KMT2ASMN1; SMN2CNR1
SCHEMBL11079232 0.64 TNF (0.44) SLC6A2SLC6A3SLC6A4TNFALDH1A1
SCHEMBL14775565 0.63 SLC6A4 (0.86) SLC6A2SLC6A3SLC6A4
SCHEMBL14775432 0.63 SLC6A4 (0.86) SLC6A2SLC6A3SLC6A4HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592344-B2 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2009-09-22 US disclosed
EP-1954678-A1 NOVEL NK1 AND NK2 ANTAGONISTS Solvay Pharmaceuticals GmbH (DE) 2008-08-13 EP disclosed
US-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-28 US disclosed
WO-2007063086-A1 NOVEL NK1 AND NK2 ANTAGONISTS SOLVAY PHARMACEUTICALS GMBH (DE) 2007-06-07 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-20070149537-A1 NK1 and NK2-antagonists and compositions and methods of using the same HRH2, PROKR2, BDKRB2 SLC6A2 1388/4885SLC6A3 2380/4885SLC6A4 2566/4885

“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.