SCHEMBL5783256

SCHEMBL5783256

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)N5CCCN(C)CC5)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.55
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
AVPR1A P37288 1/20 0.39
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.37
P2RX7 Q99572 1/20 0.36
BTK Q06187 2/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL5784142 0.97 AVPR2 (0.57) AVPR2ALDH1A1HPGDAVPR1AMAPT
SCHEMBL6475340 0.90 AVPR2 (0.52) AVPR2AVPR1AMAPT
SCHEMBL5785393 0.90 AVPR2 (0.49) AVPR2ALDH1A1AVPR1AMAPTTSHR
SCHEMBL5785412 0.89 AVPR2 (0.49) AVPR2ALDH1A1AVPR1AMAPTTSHR
SCHEMBL5785143 0.88 AVPR2 (0.48) AVPR2AVPR1AMAPT
SCHEMBL5784128 0.88 AVPR2 (0.49) AVPR2ALDH1A1AVPR1AMAPTTSHR
SCHEMBL5784628 0.88 AVPR2 (0.55) AVPR2ALDH1A1HPGDAVPR1ATSHR
SCHEMBL5784828 0.88 AVPR2 (0.49) AVPR2AVPR1A
SCHEMBL5890975 0.88 AVPR2 (0.47) AVPR2ALDH1A1HPGDAVPR1AMAPT
SCHEMBL5785436 0.88 AVPR2 (0.47) AVPR2ALDH1A1AVPR1AMAPTTSHR

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 5 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-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 91/4885ALDH1A1 3354/4885HPGD 1722/4885

“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.