SCHEMBL4323911

SCHEMBL4323911

C[C@@H](Oc1nnc(-c2cccnc2)n1C)c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.70
KCNH2 Q12809 2/20 0.58
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
P2RX7 Q99572 1/20 0.39
NPY5R Q15761 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.36
BCHE P06276 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL5054869 1.00 GRM5 (0.70) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL1544607 0.90 GRM5 (0.72) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL4331565 0.90 GRM5 (0.72) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL1848325 0.90 GRM5 (0.72) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL4328931 0.89 GRM5 (0.71) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL5053440 0.89 GRM5 (0.71) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL29175535 0.86 GRM5 (0.69) GRM5KCNH2TP53POLBMAPT
Azd2066 SCHEMBL4337705 0.86 GRM5 (0.69) GRM5KCNH2TP53POLBMAPT
SCHEMBL29582474 0.84 GRM5 (0.66) GRM5KCNH2TP53MAPTNPC1
SCHEMBL1545804 0.83 KCNH2 (0.83) GRM5KCNH2TP53MAPTP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-7476684-B2 Compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2009-01-13 US disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders ASTRAZENECA AB (SE) 2008-09-18 US disclosed
EP-1934209-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS Astra Zeneca AB (SE) 2008-06-25 EP disclosed
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders ASTRAZENECA AB (SE) 2007-06-07 US disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed
WO-2007040982-A1 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS ASTRAZENECA AB (SE) 2007-04-12 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 (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-20070270469-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS GRIN2C, OPRL1, GRIN2A GRM5 17/4885KCNH2 579/4885TP53 4844/4885
US-20080227824-A1 5-(Phenylisoxazolylethoxy) - Triazol- 3 -Yl Substituted Pyridine Compounds for the Treatment of Neurological, Psychiatric or Pain Disorders GRIN2C, GRIK5, GRIN3A GRM5 13/4885KCNH2 331/4885TP53 4823/4885
US-20070270468-A1 NEW COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS GRIN2C, OPRL1, GRIN2A GRM5 17/4885KCNH2 579/4885TP53 4844/4885
US-20070129408-A1 New compounds for the treatment of neurological, psychiatric or pain disorders GRIN2C, OPRL1, GRIN2A GRM5 17/4885KCNH2 579/4885TP53 4844/4885

“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.