SCHEMBL5657916

SCHEMBL5657916

CCOc1ccccc1N(CCCN1CCN(c2ccncn2)CC1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
HTR1A P08908 5/20 0.47
HTR2A P28223 2/20 0.47
DRD2 P14416 2/20 0.47
HRH3 Q9Y5N1 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR7 P34969 1/20 0.40

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
SCHEMBL5657707 0.89 HTR1A (0.59) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5655939 0.87 OPRM1 (0.57) OPRM1HTR1AHRH3SMN1; SMN2HTR7
SCHEMBL5657762 0.87 HRH3 (0.52) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5657181 0.85 OPRM1 (0.54) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5656060 0.85 OPRM1 (0.48) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5657865 0.84 OPRM1 (0.47) OPRM1HTR1AHTR2ADRD2HRH3
SCHEMBL5656932 0.83 OPRM1 (0.46) OPRM1HTR1AHTR2ADRD2HTR7
SCHEMBL5658247 0.83 HTR1A (0.53) HTR1AHTR2ADRD2HRH3SMN1; SMN2
SCHEMBL5654884 0.82 DRD2 (0.61) HTR1AHTR2ADRD2HTR7
SCHEMBL5655833 0.82 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.