SCHEMBL5451818

SCHEMBL5451818

COc1ccc2c(c1)CCCN(CC(=O)NCCC(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.52
MTNR1B P49286 4/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CASR P41180 3/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD1 P21728 1/20 0.44
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
GFER P55789 1/20 0.43
AKR1C3 P42330 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42

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
SCHEMBL5446508 0.90 MTNR1B (0.53) MTNR1AMTNR1BMEN1KMT2ACNR1
SCHEMBL5458947 0.90 TMEM97 (0.47) MTNR1AMTNR1BMEN1KMT2ATMEM97
SCHEMBL5461437 0.85 KMT2A (0.55) MTNR1BMEN1KMT2ATMEM97SIGMAR1
SCHEMBL5453708 0.84 POLB (0.55) MEN1KMT2ACNR1CNR2CASR
SCHEMBL5454399 0.82 CNR1 (0.58) MTNR1AMTNR1BMEN1KMT2ACNR1
SCHEMBL5454530 0.79 DRD2 (0.58) MEN1KMT2ACNR1KDM4EALDH1A1
SCHEMBL5459367 0.78 SIGMAR1 (0.53) TMEM97SIGMAR1LMNAKDM4EALDH1A1
SCHEMBL5451806 0.77 CNR1 (0.56) MTNR1AMTNR1BCNR1CNR2CASR
SCHEMBL5451891 0.77 MTNR1A (0.48) MTNR1AMTNR1BMEN1KMT2ACNR1
SCHEMBL14530812 0.75 EPHX2 (0.63) MTNR1AMTNR1BMEN1KMT2ACNR1

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 MTNR1A 435/4885MTNR1B 388/4885MEN1 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.