SCHEMBL4874915

SCHEMBL4874915

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
RPS6KB1 P23443 1/20 0.39
CACNA2D1 P54289 5/20 0.39
CACNA1B Q00975 5/20 0.39
CACNB1 Q02641 5/20 0.39
GPX4 P36969 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1C Q13936 4/20 0.39
CACNA1G O43497 3/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 3/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
MAPK3 P27361 2/20 0.38

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
SCHEMBL2928876 0.83 CACNA2D1 (0.55) CACNA2D1CACNA1BCACNB1MEN1KMT2A
SCHEMBL4879724 0.83 CYP3A4 (0.52) DPP4MEN1KMT2AMAPTMAPK1
Urea SCHEMBL27762549 0.80 CACNA2D1 (0.52) CACNA2D1CACNA1BCACNB1MEN1KMT2A
SCHEMBL5154931 0.77 HTR1A (0.52) MAPT
SCHEMBL5237104 0.71 ADAMTS5 (0.52) MAPTMAPK1
SCHEMBL21618404 0.70 FAAH (0.53)
SCHEMBL25247413 0.70 MDM2 (0.43) MEN1KMT2A
SCHEMBL30433906 0.70 MDM2 (0.43) MEN1KMT2A
SCHEMBL4883412 0.69 CYP3A4 (0.52) DPP4DPP8DPP9DPP7MEN1
SCHEMBL21733022 0.68 DPP4 (0.47) DPP4DPP8DPP9DPP7MEN1

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-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
CN-1956969-A 2- ( arylalkoxy ) -1- phenylethylamine derivatives as nk1 antagonist and 5-serotonin reuptake inhibitors ASTRAZENECA AB (SE) 2007-05-02 CN 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 TACR1 16/4885RPS6KB1 857/4885CACNA2D1 2778/4885
US-20080234282-A1 2-(Arylalkoxy)-1-Phenylethylamine Derivatives As NK1 Antagonist And Serotonin Reuptake Inhibitors HTR1A, HTR2A, TPH1 TACR1 28/4885RPS6KB1 533/4885CACNA2D1 2341/4885

“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.