SCHEMBL13312947

SCHEMBL13312947

OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCC4)ncnc32)O1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.64
▸ PMP22 Q01453 2/20 0.64
▸ ADORA2A P29274 2/20 0.64
▸ ADORA3 P0DMS8 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ ADORA2B P29275 1/20 0.64
▸ ADORA1 P30542 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ SIGMAR1 Q99720 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ TP53 P04637 1/20 0.64
▸ NFKB1 P19838 1/20 0.64
▸ HIF1A Q16665 1/20 0.64
▸ GALR3 O60755 1/20 0.64
▸ NR2F2 P24468 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63

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
SCHEMBL22452225 1.00 TSHR (0.64) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL12157290 0.99 ADORA2A (0.65) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL23982425 0.95 ABL1 (0.66) PMP22GALR3NR2F2
SCHEMBL6856223 0.91 ABL1 (0.62) TSHRPMP22ADORA2AADORA3GAA
SCHEMBL2041441 0.85 YTHDC1 (0.59) ADORA3
SCHEMBL29318369 0.85 YTHDC1 (0.59) ADORA3
SCHEMBL20419240 0.85 ALDH1A1 (0.57) —
SCHEMBL22452057 0.84 ADORA3 (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL24436940 0.84 ADORA3 (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2036287 0.83 ALDH1A1 (0.55) ADORA3NR2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220152077-A1 ADENOSINE RECEPTOR AGONISTS THE UNIVERSITY OF WARWICK (GB) 2022-05-19 — — US disclosed
EP-2807178-B1 ANHYDROUS POLYMORPHS OF (2R,3S,4R,5R)-5-(6-(CYCLOPENTYLAMINO)-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL) } METHYL NITRATE AND PROCESSES OF PREPARATION THEREOF INOTEK PHARMACEUTICALS CORP (US) 2017-05-17 — — EP disclosed
WO-2014152723-A1 OPHTHALMIC FORMULATIONS INOTEK PHARMACEUTICALS CORPORATION (US) 2014-09-25 — — WO disclosed
US-7732424-B2 for reducing animal core temperatures and rate of oxygen consumption; protecting against myocardial damage during cardioplegia; cardiovascular disease, neurological disorders, ophthalmic conditions, ischemic conditions, reperfusion injury, obesity, wasting disease, and/or diabetes INOTEK PHARMACEUTICALS CORPORATION (US) 2010-06-08 — — 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 (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-20220152077-A1 ADENOSINE RECEPTOR AGONISTS ADORA1, ADORA2A, ADORA3 TSHR 553/4885PMP22 1745/4885ADORA2A 2/4885

“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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