SCHEMBL8059196

SCHEMBL8059196

COc1ccc(CCl)c(C(C)COS(C)(=O)=O)n1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 7/20 0.34
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8058363 0.84 PKM (0.33) TXNRD1
SCHEMBL4206191 0.74 ALDH1A1 (0.33) TXNRD1
SCHEMBL4009619 0.73 MTNR1A (0.37) TXNRD1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL20564980 0.69 TXNRD1 (0.36) TXNRD1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL4215098 0.65 ABCB11 (0.38) TXNRD1MTNR1AMTNR1B
SCHEMBL19147836 0.65 MTNR1A (0.39) TXNRD1MTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL25179865 0.65 ALDH1A1 (0.47) TXNRD1
SCHEMBL1848182 0.65 POLB (0.46) SMN1; SMN2TSHR
SCHEMBL14032510 0.65 NNMT (0.44) MTNR1AMTNR1B
SCHEMBL4243866 0.64 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
US-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2009-12-17 US disclosed
WO-2009079765-A1 COMPOUNDS WITH ACTIVITY AT THE 5-HT2C RECEPTOR CASCADE THERAPEUTICS INC. (CA) 2009-07-02 WO disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 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-20090312306-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS HTR2C, HTR2A, HTR5A TXNRD1 1578/4885MTNR1A 72/4885MTNR1B 59/4885

“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.