SCHEMBL472771

SCHEMBL472771

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 1.00
▸ ADORA2A P29274 3/20 1.00
▸ PMP22 Q01453 2/20 1.00
▸ SMN1; SMN2 Q16637 1/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ THPO P40225 1/20 1.00
▸ ADORA3 P0DMS8 5/20 0.98
▸ ADORA2B P29275 2/20 0.98
▸ ADORA1 P30542 2/20 0.98
▸ MEN1 O00255 2/20 0.98
▸ KMT2A Q03164 2/20 0.98
▸ GAA P10253 1/20 0.98
▸ HTT P42858 1/20 0.98
▸ SIGMAR1 Q99720 1/20 0.98
▸ SLC29A1 Q99808 1/20 0.98
▸ RXFP1 Q9HBX9 1/20 0.98
▸ TP53 P04637 1/20 0.98
▸ NFKB1 P19838 1/20 0.98
▸ HIF1A Q16665 1/20 0.98

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
SCHEMBL12119008 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL145856 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL27097764 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL17033118 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL145857 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472589 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL16081270 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL472588 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
N6-Cyclopentyladenosine SCHEMBL18908968 0.99 ADORA3 (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
N6-Cyclopentyladenosine SCHEMBL120481 0.99 ADORA3 (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2412716-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2012-02-01 — — EP disclosed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 — — US disclosed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 — — US disclosed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 — — US disclosed
US-7144871-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2006-12-05 — — US disclosed
EP-1476455-A1 PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2004-11-17 — — EP disclosed
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. 2003-12-18 — — US disclosed
WO-2003070739-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS CV THERAPEUTICS, INC. (US) 2003-08-28 — — 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 (3 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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 TSHR 88/4885ADORA2A 2/4885PMP22 4037/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 TSHR 88/4885ADORA2A 2/4885PMP22 4037/4885
US-20030232783-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 TSHR 89/4885ADORA2A 2/4885PMP22 4126/4885

“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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