SCHEMBL5657553

SCHEMBL5657553

COc1ccccc1N(CCN1CCN(c2ccncc2)CC1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.48
ADRA1A P35348 3/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CYP2D6 P10635 3/20 0.47
CYP3A4 P08684 2/20 0.47
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2C19 P33261 1/20 0.46
MTOR P42345 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
DRD4 P21917 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1B P28222 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
SCHEMBL5656281 0.94 OPRM1 (0.52) HTR1AADRA1APOLBGFERHRH3
SCHEMBL5655859 0.93 GFER (0.55) HTR1AADRA1APOLBGFERHRH3
SCHEMBL5656794 0.89 HTR1A (0.54) HTR1AADRA1APOLBGFERCYP2D6
SCHEMBL5655788 0.89 POLB (0.51) HTR1AADRA1APOLBGFERCYP2D6
SCHEMBL5657422 0.89 HTR1A (0.57) HTR1APOLBGFERMEN1ALDH1A1
SCHEMBL5657925 0.88 MAPT (0.54) HTR1APOLBGFERTSHRDRD4
SCHEMBL5657861 0.87 OPRM1 (0.55) HTR1APOLBGFERALDH1A1HTR7
SCHEMBL5656084 0.86 HTR1A (0.52) HTR1AADRA1ACYP2D6CYP3A4TSHR
SCHEMBL5656387 0.85 HTR1A (0.61) HTR1AADRA1ACYP2D6CYP3A4TSHR
SCHEMBL5658365 0.85 HTR1A (0.56) HTR1AGFERMEN1KMT2ADRD4

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 8/4885ADRA1A 294/4885POLB 3764/4885

“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.