SCHEMBL6475719

SCHEMBL6475719

COc1cc2c(cc1OC)N(C(=O)c1ccc(-c3ccccc3C(F)(F)F)c(C)c1)Cc1ccc(C(=O)N(C)CC(O)CO)n1C2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.38
HTR1D P28221 4/20 0.33
HTR1B P28222 4/20 0.33
HTR2A P28223 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
AVPR1A P37288 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL6486457 0.89 AVPR2 (0.46) AVPR2SLC22A12AVPR1APDCD1CD274
SCHEMBL5784718 0.88 AVPR2 (0.38) AVPR2HTR1DHTR1BHTR2AGPBAR1
Hydrochloric Acid SCHEMBL5785727 0.87 AVPR2 (0.38) AVPR2HTR1DHTR1BHTR2AGPBAR1
SCHEMBL6474958 0.87 AVPR2 (0.38) AVPR2HTR1DHTR1BHTR2AGPBAR1
SCHEMBL6484549 0.85 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL6475175 0.85 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL6482881 0.84 AVPR2 (0.40) AVPR2HTR1DHTR1BHTR2AAVPR1A
SCHEMBL6475645 0.83 AVPR2 (0.46) AVPR2SLC22A12AVPR1A
SCHEMBL6484499 0.83 AVPR1A (0.38) AVPR2AVPR1A
SCHEMBL6482669 0.82 AVPR2 (0.40) AVPR2AVPR1A

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-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885HTR1D 40/4885HTR1B 48/4885

“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.