SCHEMBL5490949

SCHEMBL5490949

CCN(C=O)OC[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)O)cc4)nc32)C(O)C1O

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.73
ADORA2B P29275 3/20 0.73
KDM4E B2RXH2 3/20 0.67
ALOX15 P16050 2/20 0.67
HSD17B10 Q99714 2/20 0.67
KMT2A Q03164 2/20 0.67
ADORA3 P0DMS8 1/20 0.67
ADORA1 P30542 1/20 0.67
TSHR P16473 1/20 0.67
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2C19 P33261 1/20 0.67
PMP22 Q01453 1/20 0.66
ATM Q13315 1/20 0.66

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
SCHEMBL6869326 0.86 ADORA2A (0.76) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL25437252 0.86 ADORA2A (0.79) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL10588368 0.85 ADORA2A (1.00) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL9762945 0.85 ADORA2A (1.00) ADORA2AADORA2BKDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL9762842 0.84 ADORA2A (0.98) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL1081737 0.82 ADORA2A (0.68) ADORA2AADORA2BKDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL6754869 0.82 ADORA2A (0.68) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL12102216 0.81 ADORA2A (0.82) ADORA2AADORA2BKDM4EALOX15HSD17B10
Hydrochloric Acid SCHEMBL2031971 0.81 ADORA2A (0.67) ADORA2AADORA2BKDM4EALOX15HSD17B10
SCHEMBL18124243 0.81 ADORA2A (0.74) ADORA2AADORA2BKDM4EALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO LTD (JP) 2020-08-06 US disclosed
EP-2474544-B1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-07-12 EP disclosed
EP-2474543-B1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO LTD (JP) 2017-05-03 EP disclosed
US-9249135-B2 Therapeutic agent for mood disorders KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-02 US disclosed
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA KIRIN CO., LTD. (JP) 2015-03-19 US disclosed
US-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-19 US disclosed
EP-2474544-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP disclosed
EP-2474543-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS Kyowa Hakko Kirin Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-07-05 US disclosed
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase EPIGENESIS PHARMACEUTICALS, LLC 2007-01-25 US disclosed
US-6040296-A Specific antisense oligonucleotide composition & method for treatment of disorders associated with bronchoconstriction and lung inflammation EAST CAROLINA UNIVERSITY (US) 2000-03-21 US disclosed
WO-1999063938-A9 COMPOSITION AND METHOD FOR PREVENTION AND TREATMENT OF CARDIOPULMONARY AND RENAL FAILURE OR DAMAGE ASSOCIATED WITH ISCHEMIA, ENDOTOXIN RELEASE, ARDS OR BROUGHT ABOUT BY ADMINISTRATION OF CERTAIN DRUGS EPIGENESIS PHARMACEUTICALS INC (US) 2000-03-02 WO disclosed
US-6025339-A OLIGO IS ANTISENSE TO THE INITIATION CODON, THE CODING REGION OR THE 5' AND 3' INTRONEXON JUNCTIONS OF A GENE ENCODING THE ADENOSINE A.SUB.1 RECEPTOR OR ANTISENSE TO AN ADENOSINE A.SUB.1 RECEPTOR MRNA; AND EAST CAROLINA UNIVERSITY (US) 2000-02-15 US disclosed
US-5994315-A OLIGONUCLEOTIDE IN AEROSOL FORM EAST CAROLINA UNIVERSITY (US) 1999-11-30 US disclosed
EP-0946201-A1 AGENT AND METHOD OF TREATMENT FOR DISEASES AND CONDITIONS ASSOCIATED WITH RESPIRATORY AILMENTS AND LUNG INFLAMMATION EAST CAROLINA UNIVERSITY (US) 1999-10-06 EP disclosed
WO-1999013886-A1 MULTIPLE TARGET HYBRIDIZING NUCLEIC ACIDS, THEIR PREPARATION, COMPOSITIONS, FORMULATION, KITS AND APPLICATIONS EAST CAROLINA UNIVERSITY (US) 1999-03-25 WO disclosed
WO-1998023294-A9 AGENT AND METHOD OF TREATMENT FOR DISEASES AND CONDITIONS ASSOCIATED WITH RESPIRATORY AILMENTS AND LUNG INFLAMMATION 1998-09-17 WO disclosed
WO-1998023294-A1 AGENT AND METHOD OF TREATMENT FOR DISEASES AND CONDITIONS ASSOCIATED WITH RESPIRATORY AILMENTS AND LUNG INFLAMMATION EAST CAROLINA UNIVERSITY (US) 1998-06-04 WO disclosed
EP-0831924-A1 METHOD OF TREATMENT FOR ASTHMA EAST CAROLINA UNIVERSITY (US) 1998-04-01 EP disclosed
WO-1996040266-A1 METHOD OF TREATMENT FOR ASTHMA EAST CAROLINA UNIVERSITY (US) 1996-12-19 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 (5 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-20120184554-A1 THERAPEUTIC AGENT FOR MOOD DISORDERS TPH1, HDAC1, HDAC2 ADORA2A 709/4885ADORA2B 1430/4885KDM4E 2195/4885
US-20120172362-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADORA2A 82/4885ADORA2B 193/4885KDM4E 3799/4885
US-20070021360-A1 Compositions, formulations and kit with anti-sense oligonucleotide and anti-inflammatory steroid and/or obiquinone for treatment of respiratory and lung disesase RECQL, GSS, DDX17 ADORA2A 10/4885ADORA2B 15/4885KDM4E 4247/4885
US-20200247798-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADORA2A 82/4885ADORA2B 193/4885KDM4E 3799/4885
US-20150080415-A1 THERAPEUTIC AGENT FOR ANXIETY DISORDERS TAAR1, SLC6A1, GABBR1 ADORA2A 82/4885ADORA2B 193/4885KDM4E 3799/4885

“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.