SCHEMBL699865

SCHEMBL699865

CN(C)CCCC1(c2cccnc2)CCN(C(=O)CC2CCCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.48
CCR2 P41597 1/20 0.39
CNR1 P21554 1/20 0.39
TACR1 P25103 1/20 0.38
KMT2A Q03164 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL703279 0.96 BDKRB1 (0.49) BDKRB1CCR2CNR1KMT2APOLB
SCHEMBL700014 0.90 BDKRB1 (0.46) BDKRB1CCR2CNR1HSD11B1
SCHEMBL700135 0.89 BDKRB1 (0.47) BDKRB1CCR2CNR1HSD11B1
SCHEMBL3441787 0.81 BDKRB1 (0.45) BDKRB1CCR2CNR1
SCHEMBL3441687 0.81 BDKRB1 (0.46) BDKRB1CCR2CNR1
SCHEMBL3441716 0.81 BDKRB1 (0.45) BDKRB1CCR2CNR1
SCHEMBL3442289 0.80 BDKRB1 (0.46) BDKRB1CCR2CNR1POLB
SCHEMBL3441983 0.80 BDKRB1 (0.46) BDKRB1CCR2CNR1
SCHEMBL3441768 0.80 BDKRB1 (0.47) BDKRB1CCR2CNR1POLB
SCHEMBL3318746 0.78 BDKRB1 (0.51) BDKRB1CNR1KMT2APOLB

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 BDKRB1 11/4885CCR2 784/4885CNR1 1/4885

“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.