SCHEMBL1108993

SCHEMBL1108993

CN1CC[C@H](CC(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.43
SLC6A1 P30531 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRB2 P47870 2/20 0.42
SLC6A12 P48065 2/20 0.42
SLC6A11 P48066 2/20 0.42
SLC6A13 Q9NSD5 2/20 0.42
GABRA1 P14867 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRA4 P48169 1/20 0.42
CHRM3 P20309 2/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
F2R P25116 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
FFAR4 Q5NUL3 1/20 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
SCHEMBL2558996 1.00 NCF1 (0.43) NCF1SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL18980447 0.98 NCF1 (0.41) NCF1SLC6A1GABRA5GABRB2SLC6A12
Acetic Acid SCHEMBL7474512 0.96 NCF1 (0.40) NCF1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL805205 0.91 NCF1 (0.48) NCF1SLC6A1GABRA5GABRB2SLC6A12
Hydrochloric Acid SCHEMBL6709111 0.89 NCF1 (0.46) NCF1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL2607208 0.87 SMN1; SMN2 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL15142809 0.87 SMN1; SMN2 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL15142807 0.87 SMN1; SMN2 (0.45) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL2007871 0.85 SMN1; SMN2 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL12309780 0.84 NCF1 (0.41) NCF1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-4106754-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE UCL Business PLC (GB) 2022-12-28 EP 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
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE Targecept, Inc. (US) 2014-04-17 US disclosed
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-09-19 US 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
WO-2012125598-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-20 WO disclosed
US-8153821-B2 Compounds TARGACEPT, INC. (US) 2012-04-10 US disclosed
US-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine TARGACEPT, INC. (US) 2012-01-19 US disclosed
US-20110269975-A1 NOVEL COMPOUNDS TARGACEPT, INC. (US) 2011-11-03 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 (6 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-20120015983-A1 Synthesis and Novel Salt Forms of (R)-3-((E)-pyrrolidin-3-yl)vinyl)-5-tetrahydropyran-4-yloxy)pyridine H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS NCF1 4618/4885SLC6A1 870/4885GABRA5 1561/4885
US-20110269975-A1 NOVEL COMPOUNDS CHRNB2, CHRNA2, CHRNA5 NCF1 1412/4885SLC6A1 259/4885GABRA5 91/4885
US-20140107163-A1 SYNTHESIS AND NOVEL SALT FORMS OF (R)-3-((E)-2-(PYRROLIDIN-3-YL)VINYL)-5-(TETRAHYDROPYRAN-4-YLOXY)PYRIDINE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, REN, SRMS NCF1 4604/4885SLC6A1 700/4885GABRA5 1252/4885
US-20130196973-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S NCF1 874/4885SLC6A1 2930/4885GABRA5 1444/4885
US-20130244996-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION LTA4H, LTB4R, LTC4S NCF1 874/4885SLC6A1 2930/4885GABRA5 1444/4885
US-20130236468-A1 BENZODIOXANE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S NCF1 524/4885SLC6A1 3827/4885GABRA5 1807/4885

“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.