SCHEMBL5677381

SCHEMBL5677381

CCCCNC(=O)COc1ccc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 6/20 0.50
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
ACHE P22303 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
DRD2 P14416 3/20 0.43
DRD3 P35462 3/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
HTR1D P28221 1/20 0.43
TAOK1 Q7L7X3 2/20 0.41
TAOK3 Q9H2K8 2/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NQO2 P16083 1/20 0.40

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
SCHEMBL5679215 0.84 HDAC8 (0.53) HDAC8MTNR1AMTNR1BACHECA1
SCHEMBL5681677 0.84 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL7035289 0.84 MTNR1A (0.53) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5679130 0.83 MTNR1A (0.52) HDAC8MTNR1AMTNR1BACHECA1
SCHEMBL9443701 0.82 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL9443694 0.82 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL9443665 0.82 ADRB3 (0.51) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5681735 0.82 ACHE (0.48) MTNR1AMTNR1BACHECA1CA2
SCHEMBL5681712 0.81 ACHE (0.53) HDAC8MTNR1AMTNR1BACHEDRD2
Hydrochloric Acid SCHEMBL5677460 0.80 ACHE (0.52) HDAC8MTNR1AMTNR1BACHEDRD2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030160-B2 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2006-04-18 US disclosed
US-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same SANOFI-AVENTIS (FR) 2004-02-19 US disclosed
EP-1292572-B1 PROPANOLAMINOTETRALINES, PREPARATION THEREOF AND COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2004-02-18 EP 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-20040034070-A1 Propanolaminotetralines, preparation thereof and compositions containing same ADRB3, ADRB1, ADRB2 HDAC8 4497/4885MTNR1A 627/4885MTNR1B 286/4885

“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.