SCHEMBL5656076

SCHEMBL5656076

CCOc1ccccc1N(CCN1CCN(c2ccc(OC)cc2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
HTR7 P34969 1/20 0.48
NPC1 O15118 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.47
OPRM1 P35372 1/20 0.47
MAPK1 P28482 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
SCHEMBL5657422 0.92 HTR1A (0.57) HTR1ADRD2HTR2AMAPTKDM4E
SCHEMBL5657837 0.92 HTR1A (0.56) HTR1ADRD2HTR2AMAPTALDH1A1
SCHEMBL5656201 0.90 HTR1A (0.55) HTR1ADRD2HTR2AMAPTTP53
SCHEMBL5655950 0.90 HTR1A (0.50) HTR1AHTR2AMAPTADRA1DADRA1A
SCHEMBL5659352 0.89 HTR1A (0.49) HTR1ADRD2HTR2AMAPTADRA1A
SCHEMBL5656672 0.86 HTR1A (0.57) HTR1ADRD2KDM4EALDH1A1ADRA1D
SCHEMBL5658364 0.86 HTR2A (0.58) HTR1ADRD2HTR2AKDM4EALDH1A1
SCHEMBL5655859 0.85 GFER (0.55) HTR1AHTR2AMAPTTP53ADRA1A
SCHEMBL5657645 0.85 HTR1A (0.57) HTR1ADRD2HTR2AMAPTTP53
SCHEMBL5655833 0.84 OPRM1 (0.55) HTR1ADRD2MAPTADRA1DADRA1A

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 8/4885DRD2 73/4885HTR2A 14/4885

“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.