SCHEMBL5658289

SCHEMBL5658289

COc1cccc(N2CCN(CCCN(C(=O)O)c3ccccc3OC)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.58
KCNH2 Q12809 2/20 0.58
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
DRD3 P35462 2/20 0.52
HTR2A P28223 1/20 0.52
DRD2 P14416 3/20 0.52
DRD4 P21917 4/20 0.52

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
SCHEMBL5658365 0.94 HTR1A (0.56) HTR1AKCNH2TP53MAPTDRD3
SCHEMBL5657645 0.92 HTR1A (0.57) HTR1AKCNH2TP53MAPTDRD3
SCHEMBL5657861 0.92 OPRM1 (0.55) HTR1AKCNH2HTR2ADRD2
SCHEMBL5657423 0.91 KCNH2 (0.56) HTR1AKCNH2DRD3HTR2ADRD2
SCHEMBL5658364 0.90 HTR2A (0.58) HTR1ADRD3HTR2ADRD2DRD4
SCHEMBL5655728 0.88 TSHR (0.55) TP53MAPTDRD3HTR2ADRD2
SCHEMBL5656201 0.86 HTR1A (0.55) HTR1AKCNH2TP53MAPTDRD3
SCHEMBL5657065 0.86 ALDH1A1 (0.51) HTR1AMAPTDRD3HTR2ADRD2
SCHEMBL5656281 0.86 OPRM1 (0.52) HTR1ADRD2DRD4
SCHEMBL5657619 0.86 HTR7 (0.51) MAPTDRD3HTR2ADRD2DRD4

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 8/4885KCNH2 1144/4885TP53 4247/4885

“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.