SCHEMBL5657762

SCHEMBL5657762

CCOc1ccccc1N(CCCN1CCN(c2cnccn2)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
OPRM1 P35372 2/20 0.48
HTR1A P08908 4/20 0.47
HTR2A P28223 3/20 0.47
DRD2 P14416 2/20 0.47
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5657431 0.91 LMNA (0.53) HRH3HTR1AHTR2ADRD2LMNA
SCHEMBL5657707 0.89 HTR1A (0.59) HRH3OPRM1HTR1AHTR2ADRD2
SCHEMBL5657916 0.87 OPRM1 (0.48) HRH3OPRM1HTR1AHTR2ADRD2
SCHEMBL5655939 0.85 OPRM1 (0.57) HRH3OPRM1HTR1A
SCHEMBL5654885 0.85 LMNA (0.55) HRH3HTR1AHTR2ADRD2LMNA
SCHEMBL5657181 0.85 OPRM1 (0.54) HRH3OPRM1HTR1AHTR2ADRD2
SCHEMBL5656060 0.85 OPRM1 (0.48) HRH3OPRM1HTR1AHTR2ADRD2
SCHEMBL5657865 0.84 OPRM1 (0.47) HRH3OPRM1HTR1AHTR2ADRD2
SCHEMBL5656932 0.83 OPRM1 (0.46) OPRM1HTR1AHTR2ADRD2LMNA
SCHEMBL5658247 0.83 HTR1A (0.53) HRH3HTR1AHTR2ADRD2ALDH1A1

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 HRH3 129/4885OPRM1 242/4885HTR1A 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.