SCHEMBL5657181

SCHEMBL5657181

CCOc1ccccc1N(CCCN1CCN(c2ncccn2)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.54
HRH3 Q9Y5N1 4/20 0.49
DRD2 P14416 5/20 0.48
DRD4 P21917 4/20 0.48
DRD3 P35462 3/20 0.48
HTR1A P08908 4/20 0.48
HTR2A P28223 2/20 0.47
ADRA2C P18825 1/20 0.47
HTR2C P28335 1/20 0.47
HRH1 P35367 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MDM2 Q00987 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TSHR P16473 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
SCHEMBL5657912 0.94 HTR1A (0.50) OPRM1HRH3DRD2DRD4DRD3
SCHEMBL5659495 0.91 OPRM1 (0.50) OPRM1HRH3DRD2DRD4DRD3
SCHEMBL5657707 0.90 HTR1A (0.59) OPRM1HRH3DRD2DRD4DRD3
SCHEMBL5655939 0.88 OPRM1 (0.57) OPRM1HRH3DRD4HTR1AHRH1
SCHEMBL5655903 0.86 DRD2 (0.50) OPRM1DRD2DRD4DRD3HTR1A
SCHEMBL5654884 0.86 DRD2 (0.61) DRD2DRD3HTR1AHTR2AKDM4E
SCHEMBL5656050 0.86 OPRM1 (0.55) OPRM1DRD2DRD4DRD3HTR1A
SCHEMBL5655833 0.86 OPRM1 (0.55) OPRM1DRD2DRD4DRD3HTR1A
SCHEMBL5657762 0.85 HRH3 (0.52) OPRM1HRH3DRD2HTR1AHTR2A
SCHEMBL5657916 0.85 OPRM1 (0.48) OPRM1HRH3DRD2HTR1AHTR2A

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 242/4885HRH3 129/4885DRD2 73/4885

“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.