SCHEMBL6044035

SCHEMBL6044035

O=C(O)N1CCC(c2cccc(C(F)(F)F)c2)C(O)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
CHRM4 P08173 1/20 0.45
EPHX2 P34913 1/20 0.44
GRIN2B Q13224 1/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
UBE2M P61081 1/20 0.41
DCUN1D1 Q96GG9 1/20 0.41
RBP4 P02753 1/20 0.41
HSD11B1 P28845 1/20 0.41
CCR2 P41597 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TEAD1 P28347 1/20 0.41

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
SCHEMBL12505243 0.86 RPS6KB1 (0.51) NOTUMCHRM4EPHX2GRIN2BHTR2A
SCHEMBL4725136 0.84 NOTUM (0.44) NOTUMEPHX2HSD11B1HPGDTEAD1
SCHEMBL6041802 0.83 NPC1 (0.46) CHRM4HSD11B1HPGD
SCHEMBL6954745 0.82 NOTUM (0.43) NOTUMCHRM4EPHX2GRIN2BHTR2A
SCHEMBL3072157 0.81 KDM4E (0.47) EPHX2HTR2ALMNA
SCHEMBL6042250 0.81 SLC18A3 (0.55) EPHX2POLBLMNAHPGD
SCHEMBL2241225 0.81 SLC18A3 (0.55) EPHX2POLBLMNAHPGD
SCHEMBL2241229 0.81 SLC18A3 (0.55) EPHX2POLBLMNAHPGD
SCHEMBL18585650 0.81 HSD11B1 (0.46) NOTUMEPHX2GRIN2BHSD11B1LMNA
SCHEMBL6042159 0.81 HRH3 (0.46) HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 NOTUM 997/4885CHRM4 129/4885EPHX2 1776/4885

“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.