SCHEMBL5891126

SCHEMBL5891126

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)NCCc5ccccn5)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.42
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
SYK P43405 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
NAMPT P43490 1/20 0.38
AVPR1A P37288 1/20 0.38
PTAFR P25105 1/20 0.37
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TSHR P16473 1/20 0.36
GPR39 O43194 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL5891699 0.93 AVPR2 (0.48) AVPR2MAPTGAASYKALDH1A1
SCHEMBL5891645 0.93 ADORA2A (0.43) AVPR2MAPTSYKALDH1A1AVPR1A
SCHEMBL5891642 0.88 AVPR2 (0.46) AVPR2MAPTGAAALDH1A1L3MBTL1
SCHEMBL5891130 0.88 NAMPT (0.42) AVPR2GAAALDH1A1L3MBTL1HTT
SCHEMBL5891339 0.87 AVPR2 (0.42) AVPR2SYKAVPR1AMEN1KMT2A
SCHEMBL5891601 0.86 AVPR2 (0.49) AVPR2MAPTSYKALDH1A1AVPR1A
SCHEMBL5784979 0.85 AVPR2 (0.46) AVPR2L3MBTL1NAMPTAVPR1ASMN1; SMN2
SCHEMBL5890810 0.85 ROCK2 (0.42) AVPR2NAMPTCYP3A4
SCHEMBL5891112 0.85 AVPR2 (0.46) AVPR2MAPTALDH1A1L3MBTL1HTT
SCHEMBL5784420 0.85 SMYD2 (0.45) AVPR2SMN1; SMN2TSHRCYP2C19

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 70/4885MAPT 2687/4885GAA 4840/4885

“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.