SCHEMBL3484927

SCHEMBL3484927

CN1CCN(C(=O)Oc2cccnc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.50
FNTB P49356 3/20 0.50
CHRM1 P11229 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
GAA P10253 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30488786 0.86 ALDH1A1 (0.54) FNTAFNTBKMT2AMGLL
SCHEMBL30541505 0.86 ALDH1A1 (0.59) FNTAFNTBKMT2AGAA
SCHEMBL31596236 0.86 ALDH1A1 (0.54) FNTAFNTBKMT2AMGLL
SCHEMBL27722718 0.85 ALDH1A1 (0.62) FNTAFNTBADORA2AADORA1KMT2A
SCHEMBL1652022 0.84 FNTA (0.46) FNTAFNTBKMT2AMGLLGAA
Hydrochloric Acid SCHEMBL1532689 0.84 ALDH1A1 (0.60) ADORA2AADORA1KMT2AGAATDP1
SCHEMBL10040471 0.83 GAA (0.69) FNTAFNTBKMT2AGAA
SCHEMBL12271108 0.82 MKNK1 (0.52) FNTAFNTBKMT2AMGLL
SCHEMBL29988703 0.82 MKNK1 (0.52) FNTAFNTBKMT2AMGLL
Hydrochloric Acid SCHEMBL1532934 0.81 MKNK1 (0.51) FNTAFNTBKMT2AMGLL

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-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound ASTELLAS PHARMA INC. (JP) 2010-01-14 US claimed

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-20100009972-A1 Pyridyl Non-Aromatic Nitrogen-Containing Heterocyclic-1-Carboxylate Compound FAAH, FAAH2, CNR2 FNTA 2710/4885FNTB 1759/4885CHRM1 1123/4885

“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.