SCHEMBL17306136

SCHEMBL17306136

CC(C)C1=CCN(C(=O)CO)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FKBP1A P62942 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.31
DPP8 Q6V1X1 3/20 0.31
DPP9 Q86TI2 3/20 0.31
DPP4 P27487 2/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
DPP7 Q9UHL4 2/20 0.30
AKR1C3 P42330 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
SCHEMBL2603265 0.83 MEN1 (0.37) MEN1KMT2AFKBP1ABCHEACHE
SCHEMBL18269036 0.79 NOTUM (0.39) MEN1KMT2AGAA
SCHEMBL22529086 0.78 NAMPT (0.36) NPC1RAB9A
SCHEMBL17308184 0.76 CYP2C9 (0.36) ALDH1A1AKR1C3
SCHEMBL18211622 0.74 HPGD (0.37) ALDH1A1GAA
SCHEMBL12026425 0.67 NAMPT (0.47) MEN1KMT2AFKBP1ABCHEACHE
SCHEMBL16920229 0.66 CNR1 (0.55) MEN1KMT2AFKBP1A
SCHEMBL104852 0.66 QDPR (0.45) KMT2A
SCHEMBL2606198 0.66 MEN1 (0.40) MEN1KMT2AAKR1C3
SCHEMBL20037728 0.64 KMT2A (0.44) MEN1KMT2AALDH1A1NPC1

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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS MEN1 3091/4885KMT2A 1865/4885FKBP1A 3029/4885

“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.