SCHEMBL4104385

SCHEMBL4104385

O=CCN1CCN(CCCF)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
ACE2 Q9BYF1 1/20 0.35
ALOX15 P16050 1/20 0.33
HRH3 Q9Y5N1 1/20 0.31
KEAP1 Q14145 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3973592 0.83 KEAP1 (0.48) SIGMAR1ACE2ALOX15KEAP1SMN1; SMN2
SCHEMBL11569068 0.81
SCHEMBL7609534 0.78 ACE2 (0.31) ACE2HRH3
SCHEMBL19616839 0.78 TSHR (0.35) ACE2HRH3SMN1; SMN2
SCHEMBL17404736 0.78 GNAI3 (0.44) SIGMAR1
SCHEMBL18712607 0.78 ACE2 (0.31) ACE2HRH3
SCHEMBL28374092 0.78
SCHEMBL7580225 0.77 ALOX15 (0.62) SIGMAR1ACE2ALOX15KEAP1SMN1; SMN2
SCHEMBL27573106 0.75 GNAI3 (0.55) SIGMAR1
SCHEMBL27574596 0.75 GNAI3 (0.55) SIGMAR1

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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 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 (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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ SIGMAR1 211/4885ACE2 1977/4885ALOX15 2596/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS SIGMAR1 248/4885ACE2 1840/4885ALOX15 2588/4885

“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.