SCHEMBL5654959

SCHEMBL5654959

COc1ccccc1N(CCN1CCN(c2ccccc2F)CC1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.55
ADRA1A P35348 4/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
DRD4 P21917 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR1D P28221 1/20 0.51
HTR7 P34969 1/20 0.51
ADRA1B P35368 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL5655964 0.94 DRD2 (0.54) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5656387 0.91 HTR1A (0.61) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5657855 0.90 KMT2A (0.52) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5657057 0.88 HTR1A (0.55) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5654279 0.88 HTR1A (0.52) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5656794 0.86 HTR1A (0.54) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5655859 0.85 GFER (0.55) HTR1AADRA1ACYP3A4CYP2D6MEN1
SCHEMBL5655837 0.85 DRD2 (0.63) HTR1AALDH1A1MEN1KMT2ADRD4
SCHEMBL5656672 0.84 HTR1A (0.57) HTR1AADRA1ACYP3A4CYP2D6ALDH1A1
SCHEMBL5656115 0.84 TP53 (0.51) HTR1AALDH1A1KMT2ANPSR1DRD4

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 294/4885CYP3A4 60/4885

“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.