SCHEMBL5656794

SCHEMBL5656794

COc1ccccc1N(CCN1CCN(c2ccc(F)cc2)CC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
ADRA1A P35348 1/20 0.54
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 2/20 0.48
GFER P55789 1/20 0.48
DRD4 P21917 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL5657065 0.94 ALDH1A1 (0.51) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL5655859 0.93 GFER (0.55) HTR1ACYP3A4CYP2D6ADRA1AMEN1
SCHEMBL5657422 0.91 HTR1A (0.57) HTR1AALDH1A1MEN1KMT2AMAPT
SCHEMBL5655788 0.91 POLB (0.51) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL5657925 0.90 MAPT (0.54) HTR1AMAPTPOLBGFERDRD4
SCHEMBL5657553 0.89 HTR1A (0.48) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL5657861 0.87 OPRM1 (0.55) HTR1AALDH1A1POLBGFERDRD2
SCHEMBL5654959 0.86 HTR1A (0.55) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL5656387 0.85 HTR1A (0.61) HTR1ACYP3A4CYP2D6ADRA1AALDH1A1
SCHEMBL5658365 0.85 HTR1A (0.56) HTR1AMEN1KMT2AMAPTGFER

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 8/4885CYP3A4 60/4885CYP2D6 192/4885

“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.