SCHEMBL5455312

SCHEMBL5455312

O=C(CN1CCc2ccccc2C1)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
THRB P10828 1/20 0.58
PRMT5 O14744 9/20 0.57
WDR77 Q9BQA1 9/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
TAAR1 Q96RJ0 1/20 0.55

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
SCHEMBL5453669 0.90 PRMT5 (0.47) ALDH1A1KDM4ETHRBPRMT5WDR77
SCHEMBL5454530 0.87 DRD2 (0.58) ALDH1A1KDM4ETHRBPRMT5WDR77
SCHEMBL5451346 0.85 MEN1 (0.44) ALDH1A1KDM4ETHRBPRMT5WDR77
SCHEMBL5454266 0.85 MEN1 (0.44) ALDH1A1KDM4ETHRBPRMT5WDR77
SCHEMBL5447833 0.84 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5451682 0.83 ALDH1A1 (0.64) ALDH1A1KDM4ETHRBMEN1KMT2A
SCHEMBL5449773 0.82 PRMT5 (0.49) ALDH1A1KDM4EPRMT5WDR77MEN1
SCHEMBL5456538 0.81 NPC1 (0.67) ALDH1A1PRMT5WDR77MEN1KMT2A
SCHEMBL5784661 0.79 MEN1 (0.65) ALDH1A1KDM4ETHRBPRMT5WDR77
SCHEMBL5458947 0.78 TMEM97 (0.47) ALDH1A1KDM4EPRMT5WDR77MEN1

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 1 patent. 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

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 ALDH1A1 489/4885KDM4E 1446/4885THRB 2844/4885

“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.