SCHEMBL5656018

SCHEMBL5656018

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
OPRM1 P35372 2/20 0.52
HTR7 P34969 3/20 0.50
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 7/20 0.47
DRD3 P35462 3/20 0.47
DRD2 P14416 2/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5657971 0.94 KCNH2 (0.50) KCNH2OPRM1HTR7MAPTKDM4E
SCHEMBL5658017 0.91 HTR7 (0.58) KCNH2OPRM1HTR7MAPTLMNA
SCHEMBL5657423 0.90 KCNH2 (0.56) KCNH2OPRM1HTR7HTR1ADRD3
SCHEMBL5657645 0.90 HTR1A (0.57) KCNH2OPRM1MAPTHTR1ADRD3
SCHEMBL5655833 0.89 OPRM1 (0.55) OPRM1HTR7MAPTHTR1ADRD3
SCHEMBL5657582 0.87 LMNA (0.55) OPRM1HTR7MAPTKDM4EALDH1A1
SCHEMBL5655893 0.86 MEN1 (0.52) OPRM1HTR7MAPTALDH1A1LMNA
SCHEMBL5655939 0.85 OPRM1 (0.57) OPRM1HTR7SMN1; SMN2HTR1ADRD4
SCHEMBL5656050 0.85 OPRM1 (0.55) OPRM1HTR7MAPTKDM4EALDH1A1
SCHEMBL5657837 0.85 HTR1A (0.56) OPRM1HTR7MAPTALDH1A1LMNA

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 KCNH2 1144/4885OPRM1 242/4885HTR7 13/4885

“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.