SCHEMBL17033118

SCHEMBL17033118

OC[C@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)C1O

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
SCHEMBL472771 1.00 TSHR (1.00) TSHRADORA2APMP22SMN1; SMN2TDP1
SCHEMBL27097764 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics UNIVERSITY OF ALASKA FAIRBANKS (US) 2024-02-27 — — US disclosed
US-20150238513-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIC INJURY TO TISSUE USING THERAPEUTIC HYPOTHERMIA UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-08-27 — — US disclosed
US-20150238513-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIC INJURY TO TISSUE USING THERAPEUTIC HYPOTHERMIA UNIVERSITY OF ALASKA FAIRBANKS (US) 2015-08-27 — — 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-11911408-B2 Synergistic formulations of adenosine receptor modulating agents and anticholinergics ADORA1, ADORA3, ADORA2A TSHR 235/4885ADORA2A 3/4885PMP22 4619/4885
US-20150238513-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIC INJURY TO TISSUE USING THERAPEUTIC HYPOTHERMIA TNNI3, TNNC1, TNNT2 TSHR 3156/4885ADORA2A 912/4885PMP22 518/4885

“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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