SCHEMBL5657423

SCHEMBL5657423

COc1ccccc1N(CCCN1CCN(c2cccc(C)c2)CC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.56
HTR7 P34969 1/20 0.52
HTR1A P08908 5/20 0.48
DRD3 P35462 3/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
OPRM1 P35372 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL5656003 0.94 KCNH2 (0.52) KCNH2HTR7HTR1ADRD3DRD2
SCHEMBL5658289 0.91 HTR1A (0.58) KCNH2HTR1ADRD3DRD2DRD4
SCHEMBL5657861 0.91 OPRM1 (0.55) KCNH2HTR7HTR1ADRD2OPRM1
SCHEMBL5656018 0.90 KCNH2 (0.54) KCNH2HTR7HTR1ADRD3DRD2
SCHEMBL5657619 0.89 HTR7 (0.51) HTR7DRD3DRD2DRD4OPRM1
SCHEMBL5655728 0.87 TSHR (0.55) HTR7DRD3DRD2HTR2AHTR2C
SCHEMBL5666060 0.85 MEN1 (0.55) HTR7HTR1ADRD3DRD2DRD4
SCHEMBL5656281 0.85 OPRM1 (0.52) HTR1ADRD2DRD4OPRM1
SCHEMBL5657065 0.85 ALDH1A1 (0.51) HTR7HTR1ADRD3DRD2DRD4
SCHEMBL5658365 0.85 HTR1A (0.56) KCNH2HTR1ADRD3DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7238693-B2 Aryl carbamate derivatives, preparation and use thereof CEREP (FR) 2007-07-03 US disclosed
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US 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-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof HTR4, HTR5A, HTR3C KCNH2 1144/4885HTR7 13/4885HTR1A 8/4885

“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.