SCHEMBL2314696

SCHEMBL2314696

CCN/C(=N/S(=O)(=O)c1ccc(NC(C)=O)cc1)N1CC2(C=N1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.50
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
PKM P14618 1/20 0.42

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
SCHEMBL6885173 1.00 HTR6 (0.50) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL2318999 1.00 HTR6 (0.50) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL1179073 0.87 HTR6 (0.47) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL7998319 0.87 HTR6 (0.47) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL1179075 0.87 HTR6 (0.47) HTR6F2PRSS1PRSS2PRSS3
SCHEMBL12872125 0.87 HTR6 (0.65) HTR6
SCHEMBL15334691 0.87 HTR6 (0.54) HTR6
SCHEMBL1179294 0.86 HTR6 (0.66) HTR6
SCHEMBL1179287 0.86 HTR6 (0.66) HTR6
SCHEMBL15334695 0.86 HTR6 (0.54) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US claimed
EP-2528900-B1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBVIE BAHAMAS LTD (BS) 2014-06-11 EP claimed
EP-2528900-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES Abbott Healthcare Products B.V. (NL) 2012-12-05 EP claimed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 WO claimed
US-9422244-B2 Synthesis of substituted pyrazoline carboxamidine derivatives ABBVIE BAHAMAS LTD. (BS) 2016-08-23 US disclosed
EP-2528900-B1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBVIE BAHAMAS LTD (BS) 2014-06-11 EP disclosed
US-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HOSPITALS LIMITED (BS) 2013-03-07 US disclosed
EP-2528900-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES Abbott Healthcare Products B.V. (NL) 2012-12-05 EP disclosed
WO-2011092226-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2011-08-04 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 (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-20130060041-A1 SYNTHESIS OF SUBSTITUTED PYRAZOLINE CARBOXAMIDINE DERIVATIVES HTR6, HTR5A, HTR4 HTR6 1/4885F2 3308/4885PRSS1 1666/4885

“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.