SCHEMBL1179073

SCHEMBL1179073

CCN/C(=N/S(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC(C)(C)C=N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.47
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
HTR2B P41595 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
POLB P06746 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP8 P22894 1/20 0.38
MMP14 P50281 1/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL1179075 1.00 HTR6 (0.47) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL7998319 1.00 HTR6 (0.47) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL2314696 0.87 HTR6 (0.50) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL2318999 0.87 HTR6 (0.50) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL6885173 0.87 HTR6 (0.50) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL12872124 0.86 HTR6 (0.51) HTR6HTR2B
SCHEMBL15334689 0.86 HTR6 (0.51) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL6885750 0.85 HTR6 (0.64) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL1178954 0.85 HTR6 (0.64) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL1178956 0.85 HTR6 (0.64) HTR6F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265589-B1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LTD (BS) 2016-01-27 EP disclosed
US-9126942-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2015-09-08 US disclosed
US-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBVIE BAHAMAS LIMITED (BS) 2015-02-19 US disclosed
US-8901108-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBVIE BAHAMAS LIMITED (BS) 2014-12-02 US disclosed
US-20140011775-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2014-01-09 US disclosed
US-8563723-B2 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists ABBOTT HEALTHCARE PRODUCTS, B.V. (NL) 2013-10-22 US disclosed
EP-2610247-A1 Arylsulfonyl pyrazoline carboxamidine derivatives as 5-HT6 antagonists Abbott Healthcare Products B.V. (NL) 2013-07-03 EP disclosed
US-20110046171-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS ABBOTT HOSPITALS LIMITED (BS) 2011-02-24 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 (3 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-20150051239-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 HTR6 1/4885F2 2903/4885PRSS1 734/4885
US-20110046171-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 HTR6 1/4885F2 2903/4885PRSS1 734/4885
US-20140011775-A1 ARYLSULFONYL PYRAZOLINE CARBOXAMIDINE DERIVATIVES AS 5-HT6 ANTAGONISTS HTR6, HTR2C, HTR4 HTR6 1/4885F2 2903/4885PRSS1 734/4885

“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.