SCHEMBL248444

SCHEMBL248444

CNCc1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.59
ROCK2 O75116 1/20 0.58
ROCK1 Q13464 1/20 0.58
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
AURKA O14965 1/20 0.53
RPS6KB1 P23443 1/20 0.53
NPC1 O15118 1/20 0.53
GLS O94925 1/20 0.52

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
SCHEMBL26995656 0.88 LTA4H (0.56) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL15372729 0.87 KDM4E (0.71) LTA4HALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14197930 0.85 MEN1 (0.61) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL11941565 0.85 ALDH1A1 (0.77) LTA4HALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL3645465 0.83 KDM4E (0.62) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL3646083 0.83 KDM4E (0.62) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL109617 0.83 LTA4H (0.59) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL30439361 0.83 ALDH1A1 (0.60) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL6158844 0.82 LTA4H (0.55) LTA4HROCK2ROCK1ALDH1A1KDM4E
SCHEMBL14578276 0.82 ALDH1A1 (0.69) LTA4HALDH1A1KDM4ESMN1; SMN2HTT

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
EP-2402329-A1 Analgetic phenylsulphonamides Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
EP-2061779-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION Boehringer Ingelheim International GmbH (DE) 2009-05-27 EP disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 LTA4H 813/4885ROCK2 1744/4885ROCK1 913/4885

“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.