SCHEMBL6277693

SCHEMBL6277693

COc1cccc(OCCOS(C)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.48
MAOB P27338 2/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL8084515 0.87 KMT2A (0.51) MAPK1LMNATSHRL3MBTL1KMT2A
SCHEMBL9451313 0.85 MAPK1 (0.55) MAPK1MTNR1AMTNR1BLMNANPSR1
SCHEMBL6277366 0.85 MAPK1 (0.55) MAPK1MTNR1AMTNR1BLMNANPSR1
SCHEMBL1729519 0.84 MAPK1 (0.75) MAPK1MTNR1AMTNR1BLMNANPSR1
SCHEMBL6277239 0.82 L3MBTL1 (0.49) MTNR1AMTNR1BLMNATSHRALDH1A1
SCHEMBL237041 0.82 KDM4E (0.51) LMNAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6272279 0.82 KDM4E (0.51) MAPK1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7010041 0.81 CHRM5 (0.45) MAOBL3MBTL1
SCHEMBL7976554 0.80 KCNA3 (0.52) MTNR1AMTNR1BALDH1A1L3MBTL1MEN1
SCHEMBL6277285 0.80 KDM4E (0.55) LMNATSHRALDH1A1SMN1; SMN2MEN1

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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 WO 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR MAPK1 3922/4885MTNR1A 119/4885MTNR1B 92/4885

“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.