SCHEMBL13439403

SCHEMBL13439403

C[C@H]1CNCC[C@H]1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.43
GABRA5 P31644 3/20 0.43
GABRB2 P47870 3/20 0.43
TSHR P16473 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRE P78334 1/20 0.43
PMP22 Q01453 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
SLC6A1 P30531 4/20 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
SCHEMBL4001723 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL4009207 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL2312750 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL22863934 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL18307362 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL3027763 1.00 SLC1A2 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1
Hydrochloric Acid SCHEMBL2158140 0.98 SLC1A2 (0.42) SLC1A2GABRA5GABRB2TSHRGABRA1
Hydrochloric Acid SCHEMBL2158135 0.98 SLC1A2 (0.42) SLC1A2GABRA5GABRB2TSHRGABRA1
Hydrochloric Acid SCHEMBL2158131 0.98 SLC1A2 (0.42) SLC1A2GABRA5GABRB2TSHRGABRA1
SCHEMBL16584219 0.83 GABRA5 (0.43) SLC1A2GABRA5GABRB2TSHRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496715-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
EP-3496716-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
US-9663522-B2 3-aminocycloalkyl compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 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
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2015-08-06 US disclosed
WO-2014028600-A2 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
WO-2014026330-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2014-02-20 WO disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 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-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease CYP27A1, CYP7A1, CYP7B1 SLC1A2 2983/4885GABRA5 2882/4885GABRB2 1914/4885
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 SLC1A2 1303/4885GABRA5 2767/4885GABRB2 1461/4885
US-20150218169-A1 3-AMINOCYCLOALKYL COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORC, RORA SLC1A2 3228/4885GABRA5 216/4885GABRB2 201/4885
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 SLC1A2 1133/4885GABRA5 2908/4885GABRB2 1490/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 SLC1A2 2201/4885GABRA5 442/4885GABRB2 777/4885
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease CYP27A1, CYP7B1, SLC10A1 SLC1A2 1057/4885GABRA5 3102/4885GABRB2 1582/4885

“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.