SCHEMBL13625769

SCHEMBL13625769

CCNC(=O)[C@@H](OCn1cnc2c(N)nc(CC3CCN(C(=O)OCc4ccccc4)CC3)nc21)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 11/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CYP2D6 P10635 4/20 0.37
▸ CYP2C9 P11712 4/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ LNPEP Q9UIQ6 1/20 0.36

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
SCHEMBL13625892 0.91 GRIN2B (0.40) GRIN2BSMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL13625862 0.91 GRIN2B (0.34) GRIN2B
SCHEMBL13625768 0.87 ADORA3 (0.32) SMN1; SMN2CYP3A4
SCHEMBL13625766 0.86 GRIN2B (0.35) GRIN2BSMN1; SMN2CYP2C19CYP2D6CYP2C9
SCHEMBL8932185 0.85 GRIN2B (0.41) GRIN2B
SCHEMBL13819686 0.84 MEN1 (0.31) SMN1; SMN2CYP3A4
SCHEMBL13819677 0.84 MEN1 (0.33) SMN1; SMN2CYP3A4
SCHEMBL14393656 0.83 ADORA3 (0.33) —
SCHEMBL12010054 0.83 MEN1 (0.31) SMN1; SMN2CYP3A4
SCHEMBL13819685 0.83 MEN1 (0.31) SMN1; SMN2CYP3A4

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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS PGXHEALTH, LLC (US) 2009-11-12 — — 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-20090280059-A1 SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS ADORA2A, ADORA1, ADORA3 GRIN2B 453/4885SMN1; SMN2 3971/4885CYP2C19 823/4885

“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.

Send feedback