SCHEMBL5657431

SCHEMBL5657431

COc1ccccc1N(CCCN1CCN(c2cnccn2)CC1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HRH3 Q9Y5N1 6/20 0.52
DRD2 P14416 4/20 0.51
HTR2A P28223 2/20 0.51
HTR4 Q13639 1/20 0.47
HTR1A P08908 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL5654885 0.94 LMNA (0.55) LMNAL3MBTL1HRH3DRD2HTR2A
SCHEMBL5657762 0.91 HRH3 (0.52) LMNAL3MBTL1HRH3DRD2HTR2A
SCHEMBL5656351 0.89 HTR1A (0.57) HRH3DRD2HTR2AHTR1AKDM4E
SCHEMBL5659495 0.85 OPRM1 (0.50) HRH3DRD2HTR2AHTR1AKDM4E
SCHEMBL5656281 0.84 OPRM1 (0.52) HRH3DRD2HTR1A
SCHEMBL5657861 0.84 OPRM1 (0.55) DRD2HTR2AHTR4HTR1AKDM4E
SCHEMBL5656321 0.83 HTR4 (0.49) DRD2HTR2AHTR4HTR1AKDM4E
SCHEMBL5655625 0.83 ALDH1A1 (0.56) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL5655837 0.83 DRD2 (0.63) DRD2HTR2AHTR1AKDM4EALDH1A1
SCHEMBL5659286 0.82 ALDH1A1 (0.52) LMNADRD2HTR2AHTR4HTR1A

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 LMNA 1137/4885L3MBTL1 4733/4885HRH3 129/4885

“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.