SCHEMBL5656084

SCHEMBL5656084

COc1ccccc1N(CCN1CCN(c2ncccn2)CC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.52
ADRA1A P35348 4/20 0.52
CYP2D6 P10635 3/20 0.52
CYP3A4 P08684 2/20 0.52
DRD4 P21917 6/20 0.52
ADRA1D P25100 3/20 0.52
ADRA1B P35368 3/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 1/20 0.52
MTOR P42345 1/20 0.52
RAB9A P51151 1/20 0.52
HIF1A Q16665 1/20 0.52
HTR1B P28222 1/20 0.52
HTR7 P34969 1/20 0.52
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
SCHEMBL5659495 0.94 OPRM1 (0.50) HTR1ADRD4MEN1ALDH1A1KMT2A
SCHEMBL5657912 0.90 HTR1A (0.50) HTR1ACYP2D6CYP3A4DRD4TSHR
SCHEMBL5655625 0.89 ALDH1A1 (0.56) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5655859 0.87 GFER (0.55) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5656387 0.86 HTR1A (0.61) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5657553 0.86 HTR1A (0.48) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5654885 0.84 LMNA (0.55) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5657181 0.84 OPRM1 (0.54) HTR1ADRD4TSHRALDH1A1
SCHEMBL5656794 0.83 HTR1A (0.54) HTR1AADRA1ACYP2D6CYP3A4DRD4
SCHEMBL5655788 0.83 POLB (0.51) HTR1AADRA1ACYP2D6CYP3A4DRD4

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 8/4885ADRA1A 294/4885CYP2D6 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.