SCHEMBL2417893

SCHEMBL2417893

CN1CCC(C(O)C(F)(F)F)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.34
NCF1 P14598 1/20 0.32
VNN1 O95497 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SLC6A3 Q01959 2/20 0.31
SPR P35270 1/20 0.30

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
SCHEMBL17518758 0.80 DRD2 (0.40) LTA4H
SCHEMBL14971535 0.79 SMN1; SMN2 (0.41) LTA4H
SCHEMBL19046415 0.79 HRH3 (0.35) LTA4HVNN1HRH3
SCHEMBL19046418 0.79 HRH3 (0.35) LTA4HVNN1HRH3
SCHEMBL23277952 0.79 LTA4H (0.33) LTA4HVNN1
SCHEMBL23277766 0.79 LTA4H (0.33) LTA4HVNN1
SCHEMBL19046416 0.79 HRH3 (0.35) LTA4HVNN1HRH3
SCHEMBL20439144 0.79 LTA4H (0.33) LTA4HVNN1
SCHEMBL20917640 0.78
SCHEMBL10233655 0.78 PDE2A (0.31) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed
WO-2017108723-A2 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2017-06-29 WO disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
US-9662339-B2 Benzodioxane inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-05-30 US disclosed
EP-2822941-B1 BENZODIOXANES IN COMBINATION WITH STATINS FOR INHIBITING LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2017-05-10 EP disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-9133146-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-15 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
US-8946203-B2 Benzodioxane inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-03 US disclosed
EP-2374802-B1 KYNURENINE PRODUCTION INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2014-04-23 EP disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-12 US disclosed
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
EP-2374802-A1 KYNURENINE PRODUCTION INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYOWA KIRIN CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010053182-A1 KYNURENINE PRODUCTION INHIBITOR 協和発酵キリン株式会社 (JP) 2010-05-14 WO disclosed
US-7592358-B2 Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 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 (4 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-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LTA4H 1/4885NCF1 874/4885VNN1 714/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S LTA4H 1/4885NCF1 874/4885VNN1 714/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S LTA4H 4/4885NCF1 524/4885VNN1 1204/4885
US-20110237584-A1 KYNURENINE PRODUCTION INHIBITOR KYNU, KMO, IDO1 LTA4H 827/4885NCF1 1108/4885VNN1 1579/4885

“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.