SCHEMBL5522413

SCHEMBL5522413

Clc1ccc(-c2ncc(OC3CN(c4ncccn4)C3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.42
SLC6A7 Q99884 4/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SCN9A Q15858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 4/20 0.35
KDM1A O60341 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
SCHEMBL4691844 0.78 CNR1 (0.43) CNR1
SCHEMBL4694710 0.77 EP300 (0.42) CNR1KDM1A
SCHEMBL14545603 0.75 MET (0.43) ALDH1A1GLACNR1KDM1A
SCHEMBL4750473 0.74 CACNB4 (0.52) ALDH1A1CNR1KDM1A
SCHEMBL5516419 0.74 MAPT (0.40) CNR1
SCHEMBL14544919 0.74 EP300 (0.52) KDM1A
SCHEMBL4694942 0.73 CACNB4 (0.53) MEN1KMT2A
SCHEMBL14545327 0.73 MCHR1 (0.46) ALDH1A1
SCHEMBL14544918 0.72 EP300 (0.47) KDM1A
SCHEMBL14544907 0.72 CNR1 (0.45) CNR1KDM1A

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-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 US disclosed
US-20070078135-A1 Substituted heteroaryl CB1 antagonists NEUROGEN CORPORATION (US) 2007-04-05 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-20070078135-A1 Substituted heteroaryl CB1 antagonists CNR1, CNR2, OPRL1 PDE10A 1213/4885SLC6A7 1215/4885DPP4 4468/4885

“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.