SCHEMBL4883412

SCHEMBL4883412

CC(C)(C)OC(=O)N1CCN(C(C(=O)O)c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.52
CYP3A5 P20815 2/20 0.52
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
STS P08842 1/20 0.42
GLS O94925 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
POLB P06746 1/20 0.40
CNR1 P21554 3/20 0.40
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL12371643 0.86 MEN1 (0.56) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL13476476 0.86 CYP3A4 (0.48) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL5183732 0.83 MEN1 (0.49) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL4879724 0.83 CYP3A4 (0.52) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL19668491 0.82 CYP3A4 (0.47) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL29508239 0.82 CYP3A4 (0.47) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL14128435 0.80 GPR119 (0.50) CYP3A4CYP3A5MEN1KMT2AMAPT
SCHEMBL13476475 0.80 P2RX3 (0.48) MAPTNPC1ALDH1A1MAPK1HTT
SCHEMBL29361106 0.80 CFTR (0.46) CYP3A4CYP3A5MAPTNPC1ALDH1A1
SCHEMBL19668532 0.80 CFTR (0.46) CYP3A4CYP3A5MAPTNPC1ALDH1A1

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-20080234282-A1 2-(Arylalkoxy)-1-Phenylethylamine Derivatives As NK1 Antagonist And Serotonin Reuptake Inhibitors ASTRAZENECA AB (SE) 2008-09-25 US disclosed
US-7368448-B2 2-(arylalkoxy)-1-phenylethylamine derivatives as NK1 antagonist and serotonin reuptake inhibitors ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20070185127-A1 2-(Arylalkoxy)-1-phenylethylamine derivatives as nk1 antagonist and serotonin reuptake inhibitors ASTRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1740552-A1 2- ( ARYLALKOXY ) -1- PHENYLETHYLAMINE DERIVATIVES AS NK1 ANTAGONIST AND SEROTONIN REUPTAKE INHIBITORS AstraZeneca AB (SE) 2007-01-10 EP disclosed
WO-2005100324-A1 2- ( ARYLALKOXY ) -1- PHENYLETHYLAMINE DERIVATIVES AS NK1 ANTAGONIST AND SEROTONIN REUPTAKE INHIBITORS ASTRAZENECA AB (SE) 2005-10-27 WO 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 (2 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-20070185127-A1 2-(Arylalkoxy)-1-phenylethylamine derivatives as nk1 antagonist and serotonin reuptake inhibitors HTR1A, TPH1, HTR2A CYP3A4 1008/4885CYP3A5 696/4885MEN1 1612/4885
US-20080234282-A1 2-(Arylalkoxy)-1-Phenylethylamine Derivatives As NK1 Antagonist And Serotonin Reuptake Inhibitors HTR1A, HTR2A, TPH1 CYP3A4 1329/4885CYP3A5 848/4885MEN1 1973/4885

“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.