SCHEMBL1325640

SCHEMBL1325640

CCCCCNCCC1CNc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
CNR2 P34972 1/20 0.40
BCHE P06276 2/20 0.40
KDM4E B2RXH2 2/20 0.38
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CCKBR P32239 1/20 0.34

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
SCHEMBL8523648 0.85 BCHE (0.47) BCHECCKBR
SCHEMBL10151339 0.84 HTR2A (0.37) BCHECCKBR
SCHEMBL22582292 0.84 BCHE (0.46) CNR2BCHECCKBR
SCHEMBL28756698 0.84 BCHE (0.46) CNR2BCHECCKBR
SCHEMBL7074697 0.84 BCHE (0.48) BCHECCKBR
SCHEMBL11371414 0.82 BCHE (0.38) SIGMAR1CNR2BCHEKDM4EALDH1A1
SCHEMBL13283171 0.82 HTR6 (0.35) SIGMAR1CCKBR
SCHEMBL8261364 0.80 HTR5A (0.41) BCHEHPGDCCKBR
SCHEMBL1488694 0.79 HTR2A (0.46) BCHEKDM4EMEN1KMT2AHSD17B10
Dimethylamine SCHEMBL8649623 0.79 BCHE (0.39) BCHEHPGDCCKBR

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-8053462-B2 Indole derivative and application thereof SOMEI MASANORI 2011-11-08 US disclosed
US-20070197629-A1 Indole derivative and application thereof SOMEI MASANORI 2007-08-23 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-20070197629-A1 Indole derivative and application thereof ARL1, IDO1, AIPL1 SIGMAR1 1285/4885CNR2 1199/4885BCHE 3715/4885

“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.