SCHEMBL6801372

SCHEMBL6801372

Cc1ccc(S(=O)(=O)n2cc(C3CC3C=O)c3cc(F)c(F)cc32)cc1.Cc1ccc(S(=O)(=O)n2cc([C@@H]3C[C@H]3C=O)c3cc(C#N)ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 8/20 0.42
KDM1A O60341 3/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR6 P50406 6/20 0.40
KDM4E B2RXH2 1/20 0.39
UBE2N P61088 1/20 0.39
SLC6A4 P31645 2/20 0.36

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
SCHEMBL6801364 1.00 KLK7 (0.42) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6799779 0.94 HTR6 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6799995 0.94 HTR6 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6627879 0.94 HTR6 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6800623 0.94 HTR6 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6806305 0.91 KLK7 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6806308 0.91 KLK7 (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6613796 0.88 KDM1A (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6613791 0.88 KDM1A (0.44) KLK7KDM1AMAOAMAOBKCNH2
SCHEMBL6628213 0.86 HTR6 (0.43) KLK7KDM1AMAOAMAOBKCNH2

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-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 KLK7 2774/4885KDM1A 3085/4885MAOA 112/4885
US-20030073849-A1 Cyclopropylindole derivatives as selective serotonin reuptake inhibitors HTR5A, HTR1A, HTR2C KLK7 2523/4885KDM1A 3748/4885MAOA 84/4885

“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.