SCHEMBL3375465

SCHEMBL3375465

O=C(O)C1CC(O)CCN1c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
CDK5R1 Q15078 1/20 0.43
GRM1 Q13255 4/20 0.40
ALDH1A1 P00352 6/20 0.40
GRM5 P41594 1/20 0.40
THRB P10828 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
ADRB2 P07550 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC6A7 Q99884 1/20 0.39

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
SCHEMBL9251140 0.86 ITGB2 (0.48) GRM1GRM5CYP3A4
SCHEMBL21853236 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4EHSD17B10L3MBTL1CYP3A4
SCHEMBL21853250 0.81 SMN1; SMN2 (0.56) ALDH1A1KDM4EHSD17B10L3MBTL1CYP3A4
SCHEMBL16238706 0.80 SMN1; SMN2 (0.52) CDK5CDK5R1GRM1ALDH1A1KDM4E
SCHEMBL9432301 0.79 NOTUM (0.42) ALDH1A1GRM5SMN1; SMN2
SCHEMBL3104046 0.77 L3MBTL1 (0.45) GRM1ALDH1A1GRM5THRBNPSR1
SCHEMBL29464840 0.75 PLD1 (0.49) GRM1ALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL3311156 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10L3MBTL1SMN1; SMN2
SCHEMBL21552511 0.73 RIPK1 (0.52) GRM1ALDH1A1THRBNPSR1KDM4E
SCHEMBL10353108 0.71 ELANE (0.49) GRM1ALDH1A1KDM4EHSD17B10SMN1; SMN2

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-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2010-01-28 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-20100022546-A1 ADAMANTYL DIAMIDE DERIVATIVES AND USES OF SAME QDPR, ADM2, PDE3B CDK5 3709/4885DYRK1A 529/4885CDK5R1 2267/4885

“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.