SCHEMBL6476000

SCHEMBL6476000

O=C(c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(-c3cccc4ccccc34)cc1Cl)C2)N1CCN(CCO)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.59
AVPR1A P37288 2/20 0.40
P2RX7 Q99572 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR2C P28335 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
SCHEMBL5784677 0.93 AVPR2 (0.56) AVPR2AVPR1AP2RX7
SCHEMBL5782835 0.91 AVPR2 (0.67) AVPR2AVPR1AP2RX7KDM4E
SCHEMBL5783502 0.91 AVPR2 (0.56) AVPR2AVPR1AP2RX7HTR2C
SCHEMBL5784841 0.90 AVPR2 (0.55) AVPR2AVPR1AP2RX7HTR2C
SCHEMBL5784636 0.90 AVPR2 (0.54) AVPR2AVPR1AP2RX7
SCHEMBL5783636 0.89 AVPR2 (0.64) AVPR2AVPR1AP2RX7KDM4EHTT
SCHEMBL5784511 0.87 AVPR2 (0.58) AVPR2AVPR1AP2RX7
SCHEMBL5891365 0.85 AVPR2 (0.54) AVPR2AVPR1AP2RX7GAA
SCHEMBL5816735 0.85 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL5891138 0.84 AVPR2 (0.53) AVPR2KDM4EALDH1A1GAAHPGD

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 7 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
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO 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 45/4885AVPR1A 30/4885P2RX7 471/4885

“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.