SCHEMBL660029

SCHEMBL660029

CCCCCCc1c(CC(N)C(=O)O)o[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 1.00
▸ RECQL P46063 1/20 1.00
▸ GRM5 P41594 1/20 0.90
▸ GRIK1 P39086 4/20 0.58
▸ GRIA1 P42261 4/20 0.58
▸ GRIA2 P42262 4/20 0.58
▸ GRIA3 P42263 4/20 0.58
▸ GRIA4 P48058 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ GRIK5 Q16478 2/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ CYP2D6 P10635 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ GRIK2 Q13002 1/20 0.58
▸ GRIK3 Q13003 1/20 0.58
▸ GRIK4 Q16099 1/20 0.58

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
SCHEMBL660028 1.00 CYP1A2 (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
(R,S)-Ampa SCHEMBL6687427 0.74 GRIA1 (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
(R,S)-Ampa SCHEMBL13957590 0.74 GRIA1 (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
(S)-Ampa SCHEMBL29407234 0.74 GRIA1 (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
(R,S)-Ampa SCHEMBL29469983 0.73 BLM (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
SCHEMBL29486048 0.71 GRIK1 (1.00) CYP1A2RECQLGRM5GRIK1GRIA1
SCHEMBL27684359 0.69 CYP1A2 (0.52) CYP1A2RECQLGRM5MEN1CYP2C19
SCHEMBL13957587 0.68 GRIA1 (1.00) CYP1A2GRM5GRIK1GRIA1GRIA2
SCHEMBL31375382 0.68 GRIA1 (1.00) CYP1A2GRM5GRIK1GRIA1GRIA2
SCHEMBL28381546 0.67 S1PR2 (0.60) MAPTMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263652-A1 Treatment and/or Prevention of Inner Ear Conditions by Modulation of a Metabotropic Glutamate Receptor HOUSE EAR INSTITUTE (US) 2011-10-27 — — US claimed
EP-2344151-A2 TREATMENT AND/OR PREVENTION OF INNER EAR CONDITIONS BY MODULATION OF A METABOTROPIC GLUTAMATE RECEPTOR HOUSE EAR INSTITUTE (US) 2011-07-20 — — EP claimed
WO-2010048095-A2 TREATMENT AND/OR PREVENTION OF INNER EAR CONDITIONS BY MODULATION OF A METABOTROPIC GLUTAMATE RECEPTOR HOUSE EAR INSTITUTE (US) 2010-04-29 — — WO claimed
US-9173864-B2 Treatment and/or prevention of inner ear conditions by modulation of a metabotropic glutamate receptor HOUSE EAR INSTITUTE (US) 2015-11-03 — — US disclosed
US-20150038464-A1 METHODS OF INCREASING LIGHT RESPONSIVENESS IN A SUBJECT WITH RETINAL DEGENERATION THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2015-02-05 — — US disclosed
US-8912203-B2 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-12-16 — — US disclosed
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 — — US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 — — US disclosed
US-8680099-B2 6-(ethynyl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders AFRAXIS HOLDINGS, INC. (US) 2014-03-25 — — US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 — — US disclosed
EP-2694504-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER Afraxis Holdings, Inc. (US) 2014-02-12 — — EP disclosed
WO-2011050206-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
WO-2011044535-A2 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-04-14 — — WO disclosed
WO-2011044264-A2 PYRROLOPYRAZOLES FOR TREATING CNS DISORDERS AFRAXIS, INC. (US) 2011-04-14 — — WO disclosed
WO-2011009097-A2 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2011-01-20 — — WO disclosed
WO-2010071846-A2 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS, INC. (US) 2010-06-24 — — WO disclosed
WO-2010048095-A2 TREATMENT AND/OR PREVENTION OF INNER EAR CONDITIONS BY MODULATION OF A METABOTROPIC GLUTAMATE RECEPTOR HOUSE EAR INSTITUTE (US) 2010-04-29 — — WO disclosed
WO-2007029063-A2 TREATMENT AND/OR PREVENTION OF PERVASIVE DEVELOPMENTAL DISORDERS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2007-03-15 — — WO disclosed
US-20060264381-A1 Methods of treating obsessive compulsive disorder NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-11-23 — — US disclosed
WO-2006121919-A2 METHODS OF TREATING OBSESSIVE COMPULSIVE DISORDER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2006-11-16 — — 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-20060264381-A1 Methods of treating obsessive compulsive disorder OXTR, MECP2, GRM5 CYP1A2 4708/4885RECQL 3160/4885GRM5 3/4885
US-20150038464-A1 METHODS OF INCREASING LIGHT RESPONSIVENESS IN A SUBJECT WITH RETINAL DEGENERATION GRM5, GRM1, GRIK5 CYP1A2 4191/4885RECQL 3439/4885GRM5 1/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A CYP1A2 4685/4885RECQL 4303/4885GRM5 28/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 CYP1A2 4050/4885RECQL 1066/4885GRM5 2041/4885

“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.

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