SCHEMBL5334414

SCHEMBL5334414

Nc1nc(NCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA2B P29275 3/20 1.00
ADORA3 P0DMS8 5/20 0.74
ADORA1 P30542 3/20 0.74

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
SCHEMBL5334412 1.00 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762476 0.99 ADORA2A (0.98) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762486 0.99 ADORA2A (0.98) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761663 0.95 ADORA2A (0.90) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9761636 0.95 ADORA2A (0.90) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10585629 0.94 ADORA2A (0.88) ADORA2AADORA2BADORA3ADORA1
SCHEMBL10585648 0.94 ADORA2A (0.88) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9763035 0.93 ADORA2A (0.87) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9763054 0.93 ADORA2A (0.87) ADORA2AADORA2BADORA3ADORA1
SCHEMBL9762024 0.92 ADORA2A (0.85) ADORA2AADORA2BADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515885-A 2002-05-28 JP claimed
EP-0880353-A4 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS INC (US) 2001-04-18 EP claimed
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP claimed
US-5998423-A IN SKIN OR HAIR; ADMINISTERING ADENOSINE RECEPTOR ANTAGONIST THERASYS, INC. (US) 1999-12-07 US claimed
EP-0880353-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION Therasys, Inc. (US) 1998-12-02 EP claimed
WO-1998015276-A1 COMPOSITIONS AND METHODS FOR MODULATING MELANIN PRODUCTION THERASYS, INC. (US) 1998-04-16 WO claimed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US claimed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP claimed
JP-1265100-A None JP disclosed
US-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer L'OREAL (FR) 2007-03-15 US disclosed
EP-1754513-A2 Use of 8-hexadecene-1,16-dicarboxylic acid as a care agent for promoting the horny layer cohesion L'OREAL (FR) 2007-02-21 EP disclosed
EP-0983768-A1 MEDICINAL COMPOSITION FOR PREVENTION OR TREATMENT OF HEPATOPATHY Nippon Shinyaku Co., Ltd. (JP) 2000-03-08 EP disclosed
EP-0689405-A4 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA INC (US) 1996-09-11 EP disclosed
EP-0689405-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1996-01-03 EP disclosed
WO-1994021195-A1 METHODS FOR PROTECTING TISSUES AND ORGANS FROM ISCHEMIC DAMAGE GENSIA, INC. (US) 1994-09-29 WO disclosed
US-5034381-A Antagonist CIBA-GEIGY CORPORATION (US) 1991-07-23 US disclosed
JP-H01265100-A 2-SUBSTITUTED ADENOSINE DERIVATIVE CIBA GEIGY AG 1989-10-23 JP disclosed
EP-0323807-A2 Certain 2-substituted adenosine derivatives CIBA-GEIGY AG (CH) 1989-07-12 EP 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 (1 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-20070059269-A1 Administration of 8-hexadecene-1,16-dicarboxylic acid for promoting cohesion of the epidermal horny layer DSG1, CUTA, DSC1 ADORA2A 4168/4885ADORA2B 4407/4885ADORA3 4055/4885

“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.