SCHEMBL5657422

SCHEMBL5657422

COc1ccc(N2CCN(CCN(C(=O)O)c3ccccc3OC)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.57
HTR2A P28223 2/20 0.54
DRD2 P14416 2/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
ADRB1 P08588 1/20 0.52
HTR2B P41595 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GFER P55789 1/20 0.50
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL5658364 0.94 HTR2A (0.58) HTR1AHTR2ADRD2KMT2AMEN1
SCHEMBL5655859 0.93 GFER (0.55) HTR1AHTR2AKMT2AMEN1HTR2B
SCHEMBL5656076 0.92 HTR1A (0.53) HTR1AHTR2ADRD2KMT2AMEN1
SCHEMBL5656794 0.91 HTR1A (0.54) HTR1ADRD2KMT2AMEN1POLB
SCHEMBL5655788 0.91 POLB (0.51) HTR1ADRD2KMT2AMEN1POLB
SCHEMBL5657925 0.90 MAPT (0.54) HTR1ADRD2POLBGFERMAPT
SCHEMBL5658365 0.89 HTR1A (0.56) HTR1AHTR2ADRD2KMT2AMEN1
SCHEMBL5657553 0.89 HTR1A (0.48) HTR1AKMT2AMEN1POLBALDH1A1
SCHEMBL5657861 0.87 OPRM1 (0.55) HTR1AHTR2ADRD2SIGMAR1POLB
SCHEMBL5656387 0.85 HTR1A (0.61) HTR1AHTR2ADRD2KMT2AMEN1

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 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.