SCHEMBL6800623

SCHEMBL6800623

Cc1ccc(S(=O)(=O)n2cc([C@@H]3C[C@H]3C=O)c3cc(C#N)ccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
KDM4E B2RXH2 1/20 0.43
UBE2N P61088 1/20 0.43
KDM1A O60341 3/20 0.42
KLK7 P49862 7/20 0.42
SLC6A4 P31645 2/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6799995 1.00 HTR6 (0.44) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6627879 1.00 HTR6 (0.44) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6799779 1.00 HTR6 (0.44) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6801364 0.94 KLK7 (0.42) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6801372 0.94 KLK7 (0.42) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6628213 0.92 HTR6 (0.43) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6613796 0.92 KDM1A (0.44) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6613791 0.92 KDM1A (0.44) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6797194 0.88 KDM1A (0.42) HTR6KDM4EUBE2NKDM1AKLK7
SCHEMBL6801244 0.88 KDM1A (0.42) HTR6KDM4EUBE2NKDM1AKLK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6822100-B2 REACTING N-SULFONYL-3-VINYLINDOLE WITH RUTHENIUM COMPLEX IN PRESENCE OF ETHYL DIAZOACETATE AND TOLUENE; PSYCHOLOGICAL, SEXUAL, AND EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-11-23 US disclosed
US-6777437-B2 ANTIDEPRESSANTS, ANXIOLYTIC AGENTS. SEXUAL DISORDERS BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors MATTSON RONALD J (US) 2004-07-22 US disclosed
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-04-17 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 (2 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-20040143003-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR1A, HTR1D, TPH1 HTR6 15/4885KDM4E 3636/4885UBE2N 4027/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C HTR6 13/4885KDM4E 2977/4885UBE2N 3903/4885

“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.