SCHEMBL5657865

SCHEMBL5657865

CCOc1ccccc1N(CCCN1CCN(c2ccc(C)nn2)CC1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.47
HTR1A P08908 6/20 0.44
HTR2A P28223 2/20 0.44
DRD2 P14416 2/20 0.44
HTR7 P34969 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5655977 0.94 HTR1A (0.41) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5656932 0.90 OPRM1 (0.46) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5656060 0.88 OPRM1 (0.48) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5657707 0.87 HTR1A (0.59) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5657181 0.84 OPRM1 (0.54) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5659379 0.84 LMNA (0.44) OPRM1HTR1AHTR7ALDH1A1
SCHEMBL5657916 0.84 OPRM1 (0.48) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5657762 0.84 HRH3 (0.52) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5655939 0.83 OPRM1 (0.57) OPRM1HTR1AHTR7HRH3
SCHEMBL5655833 0.83 OPRM1 (0.55) OPRM1HTR1ADRD2HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058933-A1 Aryl carbamate derivatives, preperation and use thereof CEREP (FR) 2004-03-25 US claimed
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 OPRM1 242/4885HTR1A 8/4885HTR2A 14/4885

“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.