SCHEMBL5477276

SCHEMBL5477276

O=C(NCCCN1CCCCC1)c1ccc(Oc2ccc(F)c(F)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.53
RECQL P46063 1/20 0.53
NAMPT P43490 2/20 0.52
SCN9A Q15858 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
GLA P06280 1/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
KMT2A Q03164 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR2 Q969V1 1/20 0.48

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
SCHEMBL5474268 0.90 MCHR1 (0.56) MCHR1POLBSCN9AL3MBTL1KMT2A
SCHEMBL5484460 0.90 ALDH1A1 (0.53) POLBMAPTRECQLNAMPTSCN9A
SCHEMBL5483156 0.89 SCN9A (0.59) POLBMAPTRECQLNAMPTSCN9A
SCHEMBL5480122 0.87 MCHR1 (0.58) MCHR1POLBMAPTRECQLNAMPT
SCHEMBL5484126 0.85 ALDH1A1 (0.57) POLBMAPTRECQLSCN9AL3MBTL1
SCHEMBL14430677 0.85 CHRM4 (0.62) MCHR1POLBMAPTRECQLNAMPT
SCHEMBL14430801 0.84 EPHX2 (0.61) POLBMAPTRECQLNAMPTL3MBTL1
SCHEMBL5474324 0.84 POLB (0.75) MCHR1POLBMAPTRECQLL3MBTL1
SCHEMBL5481939 0.84 TSHR (0.66) POLBMAPTRECQLNAMPTL3MBTL1
SCHEMBL14430792 0.83 POLB (0.56) POLBMAPTRECQLNAMPTSCN9A

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 MCHR1 1280/4885POLB 1519/4885MAPT 983/4885

“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.