SCHEMBL13819323

SCHEMBL13819323

CN1CCC(OC(=O)N2CCC(Cc3nc(N)c4ncn(CO[C@H](C(=O)NC5CC5)C(O)CO)c4n3)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.34
▸ SMYD2 Q9NRG4 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ VCP P55072 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL13819681 0.92 ACACB (0.32) SMYD2MEN1ALDH1A1LMNACYP3A4
SCHEMBL13819321 0.91 ADORA2A (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL8932177 0.91 ADORA2A (0.41) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819327 0.90 ADORA2A (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819328 0.90 ADORA2A (0.34) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819447 0.89 ADORA2A (0.34) ADORA2A
SCHEMBL13819325 0.89 ADORA2A (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819324 0.88 ADORA2A (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL12009933 0.88 ADORA2A (0.32) ADORA2AMEN1ALDH1A1LMNACYP3A4
SCHEMBL13819446 0.87 MEN1 (0.33) ADORA2AMEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-06-25 — — 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-20090162292-A1 SUBSTITUTED 4--PIPERIDINE-1-CARBOXYLIC ACID ESTERS AS A2AR AGONISTS ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885SMYD2 4617/4885MEN1 4026/4885

“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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