SCHEMBL4483285

SCHEMBL4483285

CC(C)(C)C(=O)N1CCN(CC[C@H](CNC=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.44
TACR2 P21452 7/20 0.43
CCR5 P51681 1/20 0.41

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
SCHEMBL6770096 0.80 SLC6A2 (0.56) MCHR1TACR2CCR5
SCHEMBL4475059 0.73 ALDH1A1 (0.38) MCHR1
SCHEMBL6770900 0.71 SLC6A4 (0.44)
SCHEMBL6770174 0.70 SLC6A4 (0.47)
SCHEMBL758200 0.69 TACR2 (0.70) TACR2
SCHEMBL4468911 0.69 SLC6A2 (0.38)
SCHEMBL4471202 0.68 ALDH1A1 (0.37)
SCHEMBL6770103 0.67 SLC6A2 (0.59) MCHR1TACR2
SCHEMBL4483290 0.67 SLC6A2 (0.45)
SCHEMBL8590342 0.66 MCHR1 (0.54) MCHR1TACR2

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 MCHR1 237/4885TACR2 7/4885CCR5 239/4885

“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.