SCHEMBL5890958

SCHEMBL5890958

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)NCc5ccccn5)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
SYK P43405 1/20 0.39
AVPR1A P37288 1/20 0.38
NPC1 O15118 2/20 0.38
PDE5A O76074 1/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 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
SCHEMBL5890715 0.93 AVPR2 (0.42) AVPR2ALDH1A1SYKAVPR1AMAPT
SCHEMBL5890993 0.90 AVPR2 (0.43) AVPR2KMT2ACYP3A4AVPR1A
SCHEMBL5890953 0.89 AVPR2 (0.43) AVPR2ADORA2AADORA1KDM4EHPGD
SCHEMBL5891472 0.88 AVPR2 (0.42) AVPR2KMT2AUSP2ALDH1A1CYP3A4
SCHEMBL5890601 0.87 AVPR2 (0.41) AVPR2ADORA2AADORA1KDM4EALDH1A1
SCHEMBL5891601 0.87 AVPR2 (0.49) AVPR2ADORA2AADORA1KMT2AKDM4E
SCHEMBL5891391 0.86 GNRHR (0.39) AVPR2SYKAVPR1A
SCHEMBL5784367 0.85 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL5891645 0.84 ADORA2A (0.43) AVPR2ADORA2AADORA1KMT2AKDM4E
SCHEMBL5784040 0.84 AVPR2 (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885ADORA2A 144/4885ADORA1 606/4885

“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.