SCHEMBL2069756

SCHEMBL2069756

COC(=O)[C@@H](C)CSc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.54
MTNR1B P49286 2/20 0.54
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 3/20 0.41
KMT2A Q03164 2/20 0.41
CTSD P07339 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX5 P09917 1/20 0.40
SCN5A Q14524 1/20 0.40
PTGS2 P35354 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
SCHEMBL2069250 1.00 MTNR1A (0.54) MTNR1AMTNR1BPOLBSMN1; SMN2KDM4E
SCHEMBL2069117 0.86 MTNR1A (0.51) MTNR1AMTNR1BPOLBSMN1; SMN2KDM4E
SCHEMBL2069498 0.86 MTNR1A (0.51) MTNR1AMTNR1BPOLBSMN1; SMN2KDM4E
SCHEMBL14784609 0.79 MTNR1A (0.47) MTNR1AMTNR1BTSHRKMT2AHPGD
SCHEMBL6068594 0.76 CYP1A2 (0.54) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA
SCHEMBL2206369 0.76 MTNR1A (0.47) MTNR1AMTNR1BPOLBLMNACYP1A2
SCHEMBL6068589 0.76 CYP1A2 (0.54) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA
SCHEMBL6068590 0.76 CYP1A2 (0.54) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA
SCHEMBL2207267 0.76 MTNR1A (0.47) MTNR1AMTNR1BPOLBLMNACYP1A2
SCHEMBL9272577 0.75 MTNR1A (0.47) MTNR1AMTNR1BPOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902381-B2 Synthesising method and benzoxathiepine intermediates PIERRE FABRE MEDICAMENT (FR) 2011-03-08 US disclosed
US-7902381-B2 Synthesising method and benzoxathiepine intermediates PIERRE FABRE MEDICAMENT (FR) 2011-03-08 US disclosed
US-7902381-B2 Synthesising method and benzoxathiepine intermediates PIERRE FABRE MEDICAMENT (FR) 2011-03-08 US disclosed
US-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates PIERRE FABRE MEDICAMENT (FR) 2008-09-25 US disclosed
US-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates PIERRE FABRE MEDICAMENT (FR) 2008-09-25 US disclosed
EP-1735297-B1 SYNTHESISING METHOD AND BENZOXATHIEPINE INTERMEDIATES PF MEDICAMENT (FR) 2007-10-03 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-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates CYP2F1, CYP2E1, CBR1 MTNR1A 172/4885MTNR1B 225/4885POLB 3062/4885

“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.