SCHEMBL5585295

SCHEMBL5585295

OCCOc1cccnc1OCCN1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
DRD1 P21728 4/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 2/20 0.47
DRD4 P21917 2/20 0.47
DRD5 P21918 2/20 0.47
HRH1 P35367 2/20 0.47
LTA4H P09960 1/20 0.46

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
SCHEMBL5585299 0.79 SQOR (0.55) KDM4EDRD3LMNAHTTPOLB
SCHEMBL3123997 0.77 CHRNB4 (0.60) CHRNB2CHRNA4
SCHEMBL14334593 0.77 CHRNB2 (0.54) TDP1CHRNB2CHRNA4LTA4HHRH3
SCHEMBL7238763 0.75 TSHR (0.57) KDM4ESMN1; SMN2TDP1DRD1DRD2
SCHEMBL14334591 0.75 DRD2 (0.50) DRD1DRD2DRD3CHRNB2CHRNA4
SCHEMBL6181645 0.75 CHRNB4 (0.70) CHRNB2CHRNA4
SCHEMBL3124254 0.75 CHRNB4 (0.70) CHRNB2CHRNA4
SCHEMBL10654773 0.74 RAB9A (0.56) KDM4ESMN1; SMN2TDP1DRD2DRD3
SCHEMBL236730 0.74 SLC6A2 (0.47) KDM4ESMN1; SMN2TSHRLMNAPOLB
SCHEMBL1101107 0.73 RAB9A (0.55) KDM4ESMN1; SMN2TDP1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A KDM4E 3125/4885SMN1; SMN2 1087/4885TDP1 1745/4885

“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.