SCHEMBL12157290

SCHEMBL12157290

OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCCC4)ncnc32)O1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.65
▸ PMP22 Q01453 2/20 0.65
▸ SMN1; SMN2 Q16637 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ TSHR P16473 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ THPO P40225 1/20 0.65
▸ ADORA3 P0DMS8 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ ADORA2B P29275 1/20 0.63
▸ ADORA1 P30542 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ SIGMAR1 Q99720 1/20 0.63
▸ SLC29A1 Q99808 1/20 0.63
▸ RXFP1 Q9HBX9 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
SCHEMBL13312947 0.99 TSHR (0.64) ADORA2APMP22SMN1; SMN2TDP1TSHR
SCHEMBL22452225 0.99 TSHR (0.64) ADORA2APMP22SMN1; SMN2TDP1TSHR
SCHEMBL23982425 0.94 ABL1 (0.66) PMP22
SCHEMBL6856223 0.90 ABL1 (0.62) ADORA2APMP22TSHRADORA3GAA
SCHEMBL2041441 0.84 YTHDC1 (0.59) ADORA3
SCHEMBL29318369 0.84 YTHDC1 (0.59) ADORA3
SCHEMBL20419240 0.84 ALDH1A1 (0.57) —
SCHEMBL22452057 0.83 ADORA3 (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL24436940 0.83 ADORA3 (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL2036287 0.82 ALDH1A1 (0.55) ADORA3

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
EP-2251015-B1 Modified nucleosides for the treatment of viral infections and abnormal cellular proliferation GILEAD PHARMASSET LLC (US) 2013-02-20 — — EP disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 — — US disclosed
US-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PHARMASSET, INC. 2011-11-03 — — 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-20110269707-A1 Modified nucleosides for the treatment of viral infections and abnormal cellullar proliferation PNP, ALPP, XDH ADORA2A 480/4885PMP22 4009/4885SMN1; SMN2 676/4885

“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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