SCHEMBL6041914

SCHEMBL6041914

O=C(O)c1ccccc1-c1ccc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLNR O43193 4/20 0.42
CYP3A4 P08684 3/20 0.42
BRS3 P32247 1/20 0.39
CCR3 P51677 3/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PPARG P37231 1/20 0.38
HPGD P15428 1/20 0.38
FFAR2 O15552 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
CCR5 P51681 1/20 0.37

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
SCHEMBL6041846 0.89 BACE1 (0.42) MLNRCYP3A4CCR3
SCHEMBL6953032 0.83 BACE1 (0.39) MLNRCYP3A4BRS3CCR3LTB4R2
SCHEMBL6043496 0.82 REN (0.50)
SCHEMBL6042033 0.81 REN (0.45) ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6042379 0.81 REN (0.54)
SCHEMBL6041697 0.81 MEN1 (0.39) CCR3ALDH1A1RAB9ASMN1; SMN2LIPG
SCHEMBL6041827 0.80 F10 (0.45) ALDH1A1
SCHEMBL6041755 0.80 KDM1A (0.38) ALDH1A1SMN1; SMN2LIPG
SCHEMBL6042402 0.80 GPBAR1 (0.44) CCR3CCR5
SCHEMBL6041641 0.78 REN (0.46) PPARG

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 4 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
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 MLNR 3934/4885CYP3A4 3733/4885BRS3 931/4885

“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.