SCHEMBL3464832

SCHEMBL3464832

O=C(O)[C@H]1C[C@@H]2C=C[C@H]1O2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 5/20 0.36
SLC1A2 P43004 3/20 0.33
GRM2 Q14416 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
LMNA P02545 1/20 0.33
APEX1 P27695 1/20 0.33
GRM5 P41594 1/20 0.33
PMP22 Q01453 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM3 Q14832 1/20 0.33
GRM4 Q14833 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC1A1 P43005 2/20 0.32
GABRR2 P28476 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL3465515 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL13209239 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL3464490 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL2296098 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL950906 1.00 GABRR1 (0.36) GABRR1SLC1A2GRM2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL949715 0.98 GABRR1 (0.34) GABRR1SLC1A2GRM2CYP2C9CYP2C19
SCHEMBL949713 0.83
SCHEMBL13795027 0.83
SCHEMBL17662660 0.81
SCHEMBL10958962 0.78 KDM4E (0.43) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071651-B2 5-amino-4-hydroxy-7-(imidazo [1,2-A] pyridin-6-ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2011-12-06 US disclosed
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension SPEEDEL EXPERIMENTA AG (CH) 2010-03-11 US disclosed
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 EP disclosed
EP-1958666-A1 Heterocyclic-substituted alkanamides as therapeutic compounds Speedel Experimenta AG (CH) 2008-08-20 EP disclosed
EP-1948654-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION Speedel Experimenta AG (CH) 2008-07-30 EP disclosed
US-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors NOVARTIS AG (CH) 2008-07-24 US disclosed
WO-2007031558-A1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION SPEEDEL EXPERIMENTA AG (CH) 2007-03-22 WO disclosed
US-6677464-B2 REACTING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID WITH FURAN DERIVATIVE IN PRESENCE OF LEWIS ACID KURARAY CO., LTD. (JP) 2004-01-13 US disclosed
US-20030187282-A1 PROCESS FOR PREPARATION OF 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID DERIVATIVES KURARAY CO., LTD. (JP) 2003-10-02 US disclosed
EP-1190244-B1 METHOD OF PRODUCING MONOLITHIC SUPPORT MATERIALS BUCHMEISER MICHAEL RUDOLF (AT) 2003-02-26 EP 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 (3 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-20080176947-A1 Heterocyclic-Substituted Alkanamides Useful as Renin Inhibitors REN, ACE, AGTR1 GABRR1 1026/4885SLC1A2 1645/4885GRM2 2580/4885
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 GABRR1 834/4885SLC1A2 2036/4885GRM2 1718/4885
US-20030187282-A1 PROCESS FOR PREPARATION OF 7-OXABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID DERIVATIVES ALOX5, ALOX15B, ALOX15 GABRR1 3004/4885SLC1A2 2041/4885GRM2 992/4885

“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.