SCHEMBL5657707

SCHEMBL5657707

CCOc1ccccc1N(CCCN1CCN(c2ccccn2)CC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.59
HTR2A P28223 4/20 0.59
DRD2 P14416 3/20 0.59
OPRM1 P35372 1/20 0.55
HRH3 Q9Y5N1 4/20 0.52
DRD4 P21917 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2C P28335 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR7 P34969 1/20 0.50
DRD3 P35462 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
POLB P06746 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL5658247 0.94 HTR1A (0.53) HTR1AHTR2ADRD2HRH3DRD4
SCHEMBL5656351 0.91 HTR1A (0.57) HTR1AHTR2ADRD2HRH3CYP2C9
SCHEMBL5657181 0.90 OPRM1 (0.54) HTR1AHTR2ADRD2OPRM1HRH3
SCHEMBL5657762 0.89 HRH3 (0.52) HTR1AHTR2ADRD2OPRM1HRH3
SCHEMBL5657916 0.89 OPRM1 (0.48) HTR1AHTR2ADRD2OPRM1HRH3
SCHEMBL5656060 0.89 OPRM1 (0.48) HTR1AHTR2ADRD2OPRM1HRH3
SCHEMBL5657865 0.87 OPRM1 (0.47) HTR1AHTR2ADRD2OPRM1HRH3
SCHEMBL5655939 0.86 OPRM1 (0.57) HTR1AOPRM1HRH3DRD4HTR7
SCHEMBL5656932 0.86 OPRM1 (0.46) HTR1AHTR2ADRD2OPRM1LMNA
SCHEMBL5655625 0.85 ALDH1A1 (0.56) HTR1AHTR2ADRD2DRD4CYP3A4

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 HTR1A 8/4885HTR2A 14/4885DRD2 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.