SCHEMBL5890750

SCHEMBL5890750

COc1cc(C(=O)N2Cc3ccc(C(=O)NCc4ccccn4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.47
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
AVPR1A P37288 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL5891188 0.95 AVPR2 (0.51) AVPR2ROCK2ROCK1MEN1KMT2A
SCHEMBL5891044 0.94 AVPR2 (0.47) AVPR2ROCK2ROCK1MEN1KMT2A
SCHEMBL5891112 0.93 AVPR2 (0.46) AVPR2ROCK2ROCK1AVPR1AKDM4E
SCHEMBL5891397 0.91 AVPR2 (0.46) AVPR2ROCK2ROCK1MEN1KMT2A
SCHEMBL5891149 0.89 AVPR2 (0.46) AVPR2ROCK2ROCK1MEN1KMT2A
SCHEMBL3537560 0.89 AVPR2 (0.50) AVPR2ROCK2ROCK1AVPR1ASMN1; SMN2
SCHEMBL3534870 0.89 AVPR2 (0.48) AVPR2ROCK2ROCK1AVPR1AKDM4E
SCHEMBL5891601 0.88 AVPR2 (0.49) AVPR2ROCK2ROCK1MEN1KMT2A
SCHEMBL5890748 0.88 AVPR2 (0.49) AVPR2ROCK2ROCK1AVPR1AADORA2A
SCHEMBL3533374 0.87 AVPR2 (0.47) AVPR2AVPR1AALDH1A1

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-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
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 AVPR2 70/4885ROCK2 4797/4885ROCK1 4857/4885

“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.