SCHEMBL703365

SCHEMBL703365

O=C(COCC1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.36
HSD11B1 P28845 3/20 0.34
KCNQ1 P51787 1/20 0.34
HCRTR1 O43613 1/20 0.34
NAMPT P43490 2/20 0.33
HTR7 P34969 2/20 0.33
TIPARP Q7Z3E1 1/20 0.33
CCR5 P51681 2/20 0.33
EPHX2 P34913 1/20 0.33
CCR1 P32246 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL702140 0.93 KMT2A (0.37) TACR1KCNQ1HCRTR1HTR7TIPARP
SCHEMBL701104 0.89 HTR7 (0.39) TACR1HSD11B1HCRTR1NAMPTHTR7
SCHEMBL3441795 0.88 KCNQ1 (0.34) TACR1HSD11B1KCNQ1HCRTR1NAMPT
SCHEMBL3441798 0.88 KCNQ1 (0.34) TACR1HSD11B1KCNQ1HCRTR1NAMPT
SCHEMBL5129990 0.88 MEN1 (0.45) TACR1KCNQ1HCRTR1NAMPTTIPARP
SCHEMBL701062 0.86 TACR1 (0.34) TACR1HSD11B1TIPARPCCR5EPHX2
SCHEMBL703139 0.83 BDKRB1 (0.39) NAMPT
SCHEMBL10246334 0.83 BDKRB1 (0.39) NAMPT
Hydrochloric Acid SCHEMBL704835 0.82 BDKRB1 (0.38) NAMPT
SCHEMBL701483 0.81 HTR7 (0.40) TACR1KCNQ1HCRTR1HTR7CCR5

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US claimed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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 (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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 TACR1 18/4885HSD11B1 1506/4885KCNQ1 708/4885

“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.