SCHEMBL6714942

SCHEMBL6714942

CS(=O)(=O)Nc1ccc(CC(=O)NC[C@H]2CN(Cc3ccccc3F)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR4 Q13639 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 2/20 0.40
PCK1 P35558 1/20 0.39
DRD4 P21917 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2C P28335 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
SCHEMBL4031128 0.88 LMNA (0.52) SIGMAR1LMNAKDM4EPOLBTSHR
SCHEMBL4025307 0.88 LMNA (0.52) SIGMAR1LMNAKDM4EPOLBTSHR
SCHEMBL4031595 0.88 LMNA (0.52) SIGMAR1LMNAKDM4EPOLBTSHR
SCHEMBL4025289 0.87 DRD4 (0.46) SIGMAR1LMNAKDM4EPOLBTSHR
SCHEMBL5832664 0.86 CCR3 (0.41) SIGMAR1LMNAKDM4ETSHRSMN1; SMN2
SCHEMBL4024063 0.85 SIGMAR1 (0.45) SIGMAR1LMNAKDM4EPOLBTSHR
SCHEMBL5832660 0.82 CCR3 (0.56) SIGMAR1LMNATSHRSMN1; SMN2HTR4
SCHEMBL5843280 0.82 DRD4 (0.47) SIGMAR1LMNATSHRSMN1; SMN2HTR4
SCHEMBL2858926 0.81 DRD4 (0.47) SIGMAR1LMNAPOLBKMT2ADRD4
SCHEMBL5831904 0.81 DRD4 (0.47) SIGMAR1LMNAPOLBKMT2ADRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases SMITHKLINE BEECHAM CORPORATION 2004-03-25 US claimed

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-20040058923-A1 Morpholin-acetamide derivatives for the treatment of inflammatory diseases CCR1, MALT1, REL SIGMAR1 99/4885LMNA 1238/4885KDM4E 2863/4885

“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.