SCHEMBL3098864

SCHEMBL3098864

CN(C(=O)c1ccc2c(c1)nc(Nc1cc(CNC(=O)C3(C)CCCCC3)ccc1Cl)n2C)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 18/20 0.45
PTGES O14684 1/20 0.44
CNR2 P34972 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
SCHEMBL3089337 0.98 ITK (0.46) ITKPTGESCNR2
SCHEMBL3099237 0.86 PTGES (0.46) PTGESCNR2
SCHEMBL3104356 0.86 PTGES (0.43) PTGES
SCHEMBL3100803 0.86 PTGES (0.54) PTGES
SCHEMBL3109449 0.86 PTGES (0.54) PTGES
SCHEMBL11894984 0.84 PTGES (0.47) PTGESCNR2
SCHEMBL3094236 0.84 PTGES (0.45) PTGESCNR2
SCHEMBL3111197 0.83 PTGES (0.54) PTGES
SCHEMBL15385129 0.83 PTGES (0.47) PTGES
SCHEMBL3108313 0.82 PTGES (0.43) PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2022-07-14 US disclosed
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION GESYNTA PHARMA AB (SE) 2019-02-07 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
US-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 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 (5 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885PTGES 307/4885CNR2 297/4885
US-20220218670-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 ITK 4063/4885PTGES 4/4885CNR2 86/4885
US-20190038603-A1 METHODS OF TREATING DISEASES CHARACTERISED BY VASOCONSTRICTION PTGIS, PTGIR, PTGER1 ITK 4063/4885PTGES 4/4885CNR2 86/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885PTGES 307/4885CNR2 297/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ITK 4347/4885PTGES 307/4885CNR2 297/4885

“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.