SCHEMBL5420504

SCHEMBL5420504

C=CCN1C(=O)C(O)N=C(c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.65
LMNA P02545 2/20 0.65
PDE3A Q14432 1/20 0.65
ALB P02768 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4D Q08499 2/20 0.50
CHRM2 P08172 1/20 0.50
ADRA2A P08913 1/20 0.50
NR1I2 O75469 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
OPRM1 P35372 1/20 0.47
HTR2B P41595 1/20 0.46
NOTCH1 P46531 1/20 0.46
RBPJ Q06330 1/20 0.46
TP53 P04637 4/20 0.45
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 3/20 0.43

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
SCHEMBL11387416 0.87 OPRK1 (0.51) OPRK1LMNAPDE3AALBMEN1
SCHEMBL4824229 0.87 OPRK1 (0.51) OPRK1LMNAPDE3AALBMEN1
SCHEMBL11395076 0.85 OPRK1 (0.73) OPRK1LMNAPDE3AALBMEN1
SCHEMBL5422524 0.85 OPRK1 (0.69) OPRK1LMNAPDE3AALBMEN1
SCHEMBL5415025 0.83 OPRK1 (0.65) OPRK1LMNAPDE3AALBMEN1
SCHEMBL5417682 0.82 OPRK1 (0.65) OPRK1LMNAPDE3AALBMEN1
SCHEMBL5423009 0.82 OPRK1 (0.64) OPRK1LMNAPDE3AALBMEN1
SCHEMBL7320833 0.81 OPRK1 (0.66) OPRK1LMNAPDE3AALBMEN1
SCHEMBL7330417 0.81 OPRK1 (0.69) OPRK1LMNAPDE3AALBMEN1
SCHEMBL11846944 0.80 OPRK1 (0.69) OPRK1LMNAALBPDE4DNR1I2

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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines ASTON UNIVERSITY (GB) 2007-08-09 US disclosed
EP-1636197-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES Aston University (GB) 2006-03-22 EP disclosed
WO-2004106310-A1 NOVEL 3-SUBSTITUTED-1,4-BENZODIAZEPINES ASTON UNIVERSITY (GB) 2004-12-09 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-20070185094-A1 Novel 3-substitued-1,4-benzodiazepines CCKBR, CCKAR, GABRB1 OPRK1 22/4885LMNA 4248/4885PDE3A 549/4885

“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.