SCHEMBL758732

SCHEMBL758732

CNCCCC(O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.49
SLC6A4 P31645 10/20 0.49
SLC6A3 Q01959 10/20 0.49
CYP2D6 P10635 8/20 0.49
KCNH2 Q12809 7/20 0.49
CYP3A4 P08684 7/20 0.49
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL24303162 0.92 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6921904 0.81 CYP3A4 (0.61) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL11483225 0.81 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL13971033 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
Hydrochloric Acid SCHEMBL8565017 0.79 KDM4E (0.62) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL11486383 0.79 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL9245721 0.79 HTR1A (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL11490664 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL11486549 0.78 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL11484183 0.78 SLC6A4 (0.45) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954678-B1 NOVEL NK1 AND NK2 ANTAGONISTS ABBOTT PRODUCTS GMBH (DE) 2012-03-21 EP disclosed
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 1388/4885SLC6A4 2566/4885SLC6A3 2380/4885

“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.