SCHEMBL1760901

SCHEMBL1760901

O=C1CC(Cc2ccccc2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.58
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
HDAC8 Q9BY41 2/20 0.41
POLB P06746 1/20 0.41
CCR3 P51677 1/20 0.41
CYP19A1 P11511 1/20 0.41
GRIN2B Q13224 1/20 0.41
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL25698327 0.90 GBA1 (0.50) GBA1DDB1CRBNHDAC8POLB
SCHEMBL11730331 0.85 GBA1 (0.61) GBA1DDB1CRBNCCR3GRIN2B
SCHEMBL9377950 0.83 GBA1 (0.42) GBA1
SCHEMBL22201217 0.82 GBA1 (0.47) GBA1DDB1CRBNHDAC8CYP19A1
SCHEMBL1269308 0.82 GBA1 (0.47) GBA1DDB1CRBNHDAC8CYP19A1
SCHEMBL7448110 0.81 GBA1 (0.59) GBA1POLBCCR3CYP19A1GRIN2B
SCHEMBL27547225 0.81 GBA1 (0.59) GBA1POLBCCR3CYP19A1GRIN2B
SCHEMBL8399347 0.80 GBA1 (0.54) GBA1DDB1CRBNPOLB
Hydrochloric Acid SCHEMBL8329261 0.79 GBA1 (0.58) GBA1POLBCCR3CYP19A1GRIN2B
SCHEMBL11359163 0.78 HDAC8 (0.50) GBA1DDB1CRBNHDAC8CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111925357-B Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2023-06-06 CN disclosed
CN-109384803-B ATX inhibitor and preparation method and application thereof 广州市恒诺康医药科技有限公司 2021-08-31 CN disclosed
CN-111925357-A Acylhydrazone compound, pharmaceutical composition and application thereof 中国科学院昆明植物研究所 2020-11-13 CN disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 US disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
US-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
WO-2000039114-A2 SUBSTITUTED OXIMES AND HYDRAZONES AS NEUROKININ ANTAGONISTS SCHERING CORPORATION (US) 2000-07-06 WO disclosed
US-6066666-A OPTIONALLY N-SUBSTITUTED 3-MONO- AND DI-SUBSTITUTED 2-PYRROLIDINONES AND THIOLACTAM ANALOGS; TREAT SEIZURES, ANXIETY, AND ENHANCING 4-AMINOBUTYRIC ACID (GABA)-INDUCED CHLORIDE CURRENTS AT GABA RECEPTOR/IONOPHORE COMPLEX WASHINGTON UNIVERSITY (US) 2000-05-23 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
WO-1999021539-A1 METHOD FOR TREATING DISEASE-RELATED OR DRUG-INDUCED DYSKINESIAS WARNER-LAMBERT COMPANY (US) 1999-05-06 WO disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
US-5776959-A Anticonvulsant and anxiolytic lactam and thiolactam derivatives WASHINGTON UNIVERSITY (US) 1998-07-07 US disclosed
WO-1997023458-A1 SUBTYPE-SELECTIVE NMDA RECEPTOR LIGANDS AND THE USE THEREOF WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed
US-5629322-A TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION MERCK & CO., INC. (US) 1997-05-13 US disclosed
US-4977166-A ANTIARRHYTHMIC AND ANTIFIBRILLATORY AGENTS RHONE-POULENC SANTE (FR) 1990-12-11 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 (2 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 GBA1 1143/4885DDB1 1902/4885CRBN 1668/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 GBA1 1143/4885DDB1 1902/4885CRBN 1668/4885

“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.