SCHEMBL3047748

SCHEMBL3047748

O=C(O)N1CCN(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SLC6A7 Q99884 1/20 0.60
HSD11B1 P28845 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
HSP90AA1 P07900 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
EPHX2 P34913 1/20 0.56
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL2677366 0.95 ALDH1A1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL6985975 0.92 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL22305103 0.92 CA12 (0.71) CA12CA1CA2CA7CA9
SCHEMBL3093680 0.85 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL643480 0.84 ALDH1A1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL31334408 0.84 HPGD (0.76) CA12CA1CA2CA7CA9
SCHEMBL7848596 0.83 POLB (0.62) CA12CA1CA2CA7CA9
SCHEMBL9364495 0.83 EPHX2 (0.77) CA12CA1CA2CA7CA9
SCHEMBL3093672 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL5337680 0.82 ALDH1A1 (0.67) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 WO claimed
US-20150359766-A1 METHODS OF TREATING AUTISM WITH mGluR5 ANTAGONISTS UNIV BROWN (US) 2015-12-17 US disclosed
US-20130190402-A1 Methods Of Treating Autism With mGluR5 Antagonists EMORY UNIVERSITY (US) 2013-07-25 US disclosed
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-16 US disclosed
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-15 US disclosed
US-20100210542-A1 Methods of Treating Disorders with Group I mGluR Antagonists NIH-DEITR 2010-08-19 US disclosed
US-7648993-B2 Methods of treating disorders with Group I mGluR antagonists BROWN UNIVERSITY (US) 2010-01-19 US disclosed
US-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-30 US disclosed
EP-2010174-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION The Regents of the University of California (US) 2009-01-07 EP disclosed
WO-2007124348-A2 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-11-01 WO disclosed
US-6890931-B2 Methods of treating disorders with group I mGluR antagonists BROWN UNIVERSITY (US) 2005-05-10 US disclosed
EP-1267869-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF TOLERANCE AND DEPENDANCE GLAXO GROUP LTD (GB) 2004-05-19 EP disclosed
US-20040067978-A1 Methods of treating disorders with Group I mGluR antagonists BROWN UNIVERSITY RESEARCH FOUNDATION (BURF) (US) 2004-04-08 US disclosed
EP-1392363-A2 COMPOSITIONS AND USES OF MGLUR5 ANTAGONISTS BROWN UNIVERSITY RESEARCH FOUNDATION (US) 2004-03-03 EP disclosed
US-20030195139-A1 Metabotropic glutamate receptor antagonists for treating tolerance and dependency CORSI MAURO (IT) 2003-10-16 US disclosed
US-20030100539-A1 Methods of treating neurological disorders with group I mGluR antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-29 US disclosed
EP-1267869-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF TOLERANCE AND DEPENDANCE GLAXO GROUP LIMITED (GB) 2003-01-02 EP disclosed
WO-2002078745-A2 USE OF MGLUR5 ANTAGONISTS IN THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF AUTISM, MENTAL RETARDATION, SCHIZOPHRENIA BROWN UNIVERSITY RESEARCH FOUNDATION (US) 2002-10-10 WO disclosed
WO-2001066113-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING TOLERANCE AND DEPENDENCY GLAXO GROUP LIMITED (GB) 2001-09-13 WO disclosed
WO-1996041802-A1 NOVEL HETEROAROMATIC PIPERAZINES FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-12-27 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 (9 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-20030100539-A1 Methods of treating neurological disorders with group I mGluR antagonists GRM5, GRIK5, GRIN1 CA12 4592/4885CA1 1521/4885CA2 2057/4885
US-20090192199-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 CA12 4405/4885CA1 2386/4885CA2 3269/4885
US-20150359766-A1 METHODS OF TREATING AUTISM WITH mGluR5 ANTAGONISTS GRM5, GRIK5, GRIK4 CA12 2445/4885CA1 867/4885CA2 811/4885
US-20030195139-A1 Metabotropic glutamate receptor antagonists for treating tolerance and dependency GRM5, GRIK5, GRM1 CA12 3506/4885CA1 1620/4885CA2 2887/4885
US-20110306601-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 CA12 4376/4885CA1 2282/4885CA2 3159/4885
US-20100210542-A1 Methods of Treating Disorders with Group I mGluR Antagonists GRM5, GRIK5, GRM2 CA12 4442/4885CA1 1903/4885CA2 2214/4885
US-20130123248-A1 PHARMACOLOGICAL MODULATION OF POSITIVE AMPA RECEPTOR MODULATOR EFFECTS ON NEUROTROPHIN EXPRESSION GRM1, GRM2, GRIN1 CA12 4376/4885CA1 2282/4885CA2 3159/4885
US-20040067978-A1 Methods of treating disorders with Group I mGluR antagonists GRM5, GRIK5, GRM2 CA12 4442/4885CA1 1903/4885CA2 2214/4885
US-20130190402-A1 Methods Of Treating Autism With mGluR5 Antagonists GRM5, GRIK5, GRIK4 CA12 2445/4885CA1 867/4885CA2 811/4885

“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.