SCHEMBL5785259

SCHEMBL5785259

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N5CCN(C(C)C)CC5)n4Cc4ccccc43)cc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.45
ROCK2 O75116 2/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
MAPT P10636 2/20 0.39
AVPR1A P37288 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL5785514 0.93 AVPR2 (0.51) AVPR2ROCK2PDCD1CD274AVPR1A
SCHEMBL5786882 0.93 AVPR2 (0.43) AVPR2SLC6A2SLC6A4SLC6A3HRH3
SCHEMBL5785190 0.92 AVPR2 (0.50) AVPR2ROCK2TSHRSMN1; SMN2MAPT
SCHEMBL5785114 0.90 AVPR2 (0.48) AVPR2ROCK2TSHRSMN1; SMN2MAPT
SCHEMBL5782228 0.89 AVPR2 (0.47) AVPR2ROCK2PDCD1CD274AVPR1A
SCHEMBL6487139 0.88 AVPR2 (0.47) AVPR2ROCK2TSHRSMN1; SMN2PDCD1
SCHEMBL5787810 0.87 AVPR2 (0.43) AVPR2ROCK2SLC6A2SLC6A4SLC6A3
SCHEMBL5784448 0.87 AVPR2 (0.43) AVPR2ROCK2SMN1; SMN2PDCD1CD274
SCHEMBL5784752 0.87 AVPR2 (0.45) AVPR2ROCK2TSHRSMN1; SMN2MAPT
SCHEMBL5788479 0.87 AVPR2 (0.45) AVPR2ROCK2TSHRSMN1; SMN2MAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US claimed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP claimed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US claimed
US-7109193-B2 Tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH (US) 2006-09-19 US disclosed
EP-1377586-B1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2006-03-22 EP disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 91/4885ROCK2 4555/4885SLC6A2 2731/4885

“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.