SCHEMBL5459116

SCHEMBL5459116

O=C(NCCCN1CCCCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.61
TP53BP1 Q12888 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60
POLB P06746 4/20 0.60
ALDH1A1 P00352 1/20 0.60
NAMPT P43490 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DRD2 P14416 1/20 0.58
ADRA1A P35348 1/20 0.58
DRD3 P35462 1/20 0.58
HPGD P15428 2/20 0.58
SMYD2 Q9NRG4 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53

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
SCHEMBL15317679 0.88 MAPT (0.65) EPHX2TP53BP1POLBALDH1A1NAMPT
SCHEMBL5466382 0.86 EPHX2 (0.70) EPHX2HRH3ALDH1A1NAMPTSMN1; SMN2
SCHEMBL14430802 0.85 RAF1 (0.61) EPHX2HRH3DRD2ADRA1ADRD3
SCHEMBL14430782 0.85 LTA4H (0.59) EPHX2HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL14430729 0.83 KMT2A (0.54) EPHX2HRH3ALDH1A1NAMPTSMN1; SMN2
SCHEMBL3072529 0.83 HRH3 (0.55) EPHX2HRH3POLBSMN1; SMN2HPGD
SCHEMBL5481576 0.83 NAMPT (0.61) EPHX2POLBNAMPTDRD2HPGD
SCHEMBL29658300 0.82 POLB (0.64) EPHX2TP53BP1HRH3POLBALDH1A1
SCHEMBL18507055 0.82 HRH3 (0.59) EPHX2HRH3POLBNAMPTSMN1; SMN2
SCHEMBL5474859 0.81 MEN1 (0.61) HRH3POLBALDH1A1NAMPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 US disclosed
US-20070191358-A1 Novel piperidine derivative for the treatment of depression ASTRAZENECA AB (SE) 2007-08-16 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-20070191358-A1 Novel piperidine derivative for the treatment of depression GRIN2C, TPH2, HTR5A EPHX2 3018/4885TP53BP1 4449/4885HRH3 327/4885

“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.