SCHEMBL6364353

SCHEMBL6364353

CC(C)(C)OC(=O)N1c2ccccc2[C@@](N)(C(F)(F)F)C[C@@H]1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
PDK2 Q15119 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
BCHE P06276 1/20 0.36
SCN9A Q15858 1/20 0.35
NOTUM Q6P988 1/20 0.35
RORC P51449 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
UCHL1 P09936 1/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL6364356 1.00 KDM1A (0.45) KDM1APDK2GPR119BCHESCN9A
SCHEMBL6364363 1.00 KDM1A (0.45) KDM1APDK2GPR119BCHESCN9A
SCHEMBL6364627 0.71 CETP (0.47) PDK2NOTUM
SCHEMBL30921574 0.68 KDM1A (0.53) KDM1APDK2GPR119BCHESCN9A
SCHEMBL8876973 0.67 KDM1A (0.44) KDM1APDK2BCHESCN9ANOTUM
SCHEMBL30630786 0.66 KDM1A (0.45) KDM1AGPR119BCHESCN9ANOTUM
SCHEMBL30630651 0.66 KDM1A (0.46) KDM1ABCHESCN9ANOTUMRORC
SCHEMBL30681428 0.66 BCHE (0.46) KDM1AGPR119BCHESCN9ARORC
SCHEMBL22341799 0.65 KDM1A (0.44) KDM1AGPR119BCHESCN9ANOTUM
SCHEMBL22355687 0.65 KDM1A (0.44) KDM1AGPR119BCHESCN9ANOTUM

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-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines DENINNO MICHAEL P 2005-11-03 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-20050245570-A1 4-carboxyamino-2-substituted-1,2,3,4-tetrahydroquinolines CETP, APOB, HDLBP KDM1A 3157/4885PDK2 2491/4885GPR119 409/4885

“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.