SCHEMBL5481802

SCHEMBL5481802

N#Cc1cccc(C(=O)NCCCN2CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 4/20 0.63
NAMPT P43490 3/20 0.62
CCR5 P51681 1/20 0.61
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
DRD2 P14416 3/20 0.52
DRD4 P21917 3/20 0.52
DRD3 P35462 3/20 0.52
SCN9A Q15858 1/20 0.52

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
SCHEMBL5481507 0.86 SCN9A (0.68) SMYD2NAMPTCCR5KMT2AMEN1
SCHEMBL5481652 0.85 NAMPT (0.66) SMYD2NAMPTL3MBTL1POLBDRD3
SCHEMBL14005954 0.85 DRD3 (0.63) SMYD2NAMPTDRD2DRD4DRD3
SCHEMBL5540070 0.82 NAMPT (0.73) NAMPTCCR5
SCHEMBL5482155 0.81 SMYD2 (0.68) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL16964662 0.81 MAPT (0.62) SMYD2KMT2AMEN1HPGDL3MBTL1
SCHEMBL5474859 0.81 MEN1 (0.61) SMYD2NAMPTKMT2AMEN1HPGD
SCHEMBL14430686 0.81 DRD4 (0.70) SMYD2DRD2DRD4
SCHEMBL5474202 0.81 ALDH1A1 (0.71) SMYD2NAMPTKMT2AMEN1HPGD
SCHEMBL19891370 0.81 DRD2 (0.68) KMT2AMEN1HPGDPOLBDRD2

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 SMYD2 805/4885NAMPT 3438/4885CCR5 1497/4885

“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.