SCHEMBL5657645

SCHEMBL5657645

CCOc1ccccc1N(CCCN1CCN(c2cccc(OC)c2)CC1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.57
KCNH2 Q12809 2/20 0.54
OPRM1 P35372 1/20 0.52
DRD3 P35462 2/20 0.51
HTR2A P28223 1/20 0.51
DRD2 P14416 2/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
DRD4 P21917 2/20 0.49
NPC1 O15118 1/20 0.48
ADRA1D P25100 1/20 0.48
ADRA1A P35348 1/20 0.48
ADRA1B P35368 1/20 0.48

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
SCHEMBL5656201 0.94 HTR1A (0.55) HTR1AKCNH2DRD3HTR2ADRD2
SCHEMBL5658289 0.92 HTR1A (0.58) HTR1AKCNH2DRD3HTR2ADRD2
SCHEMBL5658017 0.90 HTR7 (0.58) HTR1AKCNH2OPRM1DRD2MAPT
SCHEMBL5656018 0.90 KCNH2 (0.54) HTR1AKCNH2OPRM1DRD3HTR2A
SCHEMBL5657582 0.86 LMNA (0.55) OPRM1DRD3HTR2ADRD2TP53
SCHEMBL5658365 0.86 HTR1A (0.56) HTR1AKCNH2DRD3HTR2ADRD2
SCHEMBL5655833 0.85 OPRM1 (0.55) HTR1AOPRM1DRD3DRD2MAPT
SCHEMBL5656076 0.85 HTR1A (0.53) HTR1AOPRM1HTR2ADRD2TP53
SCHEMBL5654884 0.85 DRD2 (0.61) HTR1ADRD3HTR2ADRD2
SCHEMBL5655939 0.85 OPRM1 (0.57) HTR1AOPRM1DRD4

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 1144/4885OPRM1 242/4885

“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.