SCHEMBL5454530

SCHEMBL5454530

O=C(CN1CCc2ccccc2C1)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
MAPT P10636 2/20 0.57
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
POLB P06746 1/20 0.54
TAAR1 Q96RJ0 1/20 0.53
PRMT5 O14744 4/20 0.52
WDR77 Q9BQA1 4/20 0.52
CNR1 P21554 1/20 0.50
RAB9A P51151 1/20 0.50
GFER P55789 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
SCHEMBL5451806 0.91 CNR1 (0.56) DRD2HTR2ACNR1
SCHEMBL5453708 0.89 POLB (0.55) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5461409 0.89 RAB9A (0.51) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5455312 0.87 ALDH1A1 (0.58) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL5460412 0.87 POLB (0.50) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5456100 0.86 MEN1 (0.46) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5446508 0.85 MTNR1B (0.53) DRD2HTR2AMEN1KMT2AALDH1A1
SCHEMBL5451891 0.83 MTNR1A (0.48) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5784661 0.82 MEN1 (0.65) DRD2HTR2AMEN1KMT2AL3MBTL1
SCHEMBL5451682 0.81 ALDH1A1 (0.64) MEN1KMT2AL3MBTL1MAPTALDH1A1

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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels IONIX PHARMACEUTICALS LIMITED (GB) 2007-02-22 US disclosed
EP-1660454-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS Vernalis (R&D) Limited (GB) 2006-05-31 EP disclosed
WO-2005005392-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-20 WO 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-20070043024-A1 Azacyclic compounds as inhibitors of sensory neurone specific channels SCN1B, SCN1A, SCN10A DRD2 1065/4885HTR2A 955/4885MEN1 2444/4885

“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.