SCHEMBL17023380

SCHEMBL17023380

COP(=O)(OC)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 8/20 1.00
▸ TAS1R3 Q7RTX0 1/20 0.82
▸ TAS1R1 Q7RTX1 1/20 0.82
▸ ADORA3 P0DMS8 7/20 0.79
▸ ADORA2A P29274 5/20 0.78
▸ GPR17 Q13304 1/20 0.75
▸ ADORA2B P29275 3/20 0.70
▸ TSHR P16473 2/20 0.69
▸ PMP22 Q01453 2/20 0.69
▸ GAA P10253 1/20 0.69
▸ HTT P42858 1/20 0.69
▸ SIGMAR1 Q99720 1/20 0.69
▸ SLC29A1 Q99808 1/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ TP53 P04637 1/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ HIF1A Q16665 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.68

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
SCHEMBL17023381 1.00 ADORA1 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL30969949 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL20282633 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL17824354 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL30969947 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL20282632 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL20277517 0.90 TAS1R3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL30150750 0.90 ADORA1 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL14906549 0.88 ADORA3 (1.00) ADORA1TAS1R3TAS1R1ADORA3ADORA2A
SCHEMBL13268988 0.87 ADORA3 (0.98) ADORA1TAS1R3TAS1R1ADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10092591-B2 Methods and compositions for the treatment of ischemic injury to tissue using therapeutic hypothermia UNIVERSITY OF ALASKA FAIRBANKS (US) 2018-10-09 — — 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-20150238513-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF ISCHEMIC INJURY TO TISSUE USING THERAPEUTIC HYPOTHERMIA TNNI3, TNNC1, TNNT2 ADORA1 2084/4885TAS1R3 4423/4885TAS1R1 4711/4885
US-10092591-B2 Methods and compositions for the treatment of ischemic injury to tissue using therapeutic hypothermia TNNI3, TNNC1, TNNT2 ADORA1 2084/4885TAS1R3 4423/4885TAS1R1 4711/4885

“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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