SCHEMBL5481576

SCHEMBL5481576

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

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
SMYD2 Q9NRG4 2/20 0.55
MEN1 O00255 1/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
DRD2 P14416 4/20 0.53
DRD4 P21917 4/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
POLB P06746 1/20 0.52
CCR3 P51677 1/20 0.52
RAF1 P04049 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.51
MCHR1 Q99705 1/20 0.51
CHRM3 P20309 1/20 0.51
EPHX2 P34913 1/20 0.50

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
SCHEMBL14430686 0.85 DRD4 (0.70) SMYD2DRD2DRD4CCR3MAPT
SCHEMBL14430802 0.84 RAF1 (0.61) SMYD2MEN1HPGDKMT2AL3MBTL1
SCHEMBL14430779 0.84 LMNA (0.70) SMYD2MEN1HPGDKMT2AL3MBTL1
SCHEMBL5476704 0.83 MCHR1 (0.58) NAMPTSMYD2MEN1HPGDKMT2A
SCHEMBL5480942 0.83 L3MBTL1 (0.61) SMYD2MEN1HPGDKMT2AL3MBTL1
SCHEMBL5459116 0.83 EPHX2 (0.61) NAMPTSMYD2MEN1HPGDKMT2A
SCHEMBL5474268 0.82 MCHR1 (0.56) SMYD2MEN1HPGDKMT2AL3MBTL1
SCHEMBL5487158 0.81 SMYD2 (0.62) SMYD2MEN1HPGDKMT2AL3MBTL1
SCHEMBL5477335 0.81 DRD4 (0.66) SMYD2DRD2DRD4CCR3MAPT
SCHEMBL5481493 0.81 LMNA (0.59) SMYD2MEN1HPGDKMT2AL3MBTL1

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 NAMPT 3438/4885SMYD2 805/4885MEN1 4813/4885

“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.