SCHEMBL5890975

SCHEMBL5890975

COc1cccc(-c2cc(OC)c(C(=O)N3Cc4ccc(C(=O)N5CCN(c6ccncc6)CC5)n4Cc4ccccc43)cc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.47
MAPT P10636 2/20 0.41
TSHR P16473 3/20 0.39
RAB9A P51151 1/20 0.39
TACR3 P29371 1/20 0.38
P2RX7 Q99572 1/20 0.38
ROCK2 O75116 1/20 0.38
AVPR1A P37288 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CCKAR P32238 1/20 0.36
F10 P00742 1/20 0.36
NAMPT P43490 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5784142 0.90 AVPR2 (0.57) AVPR2MAPTTSHRP2RX7AVPR1A
SCHEMBL5891624 0.90 ALDH1A1 (0.48) AVPR2MAPTTSHRRAB9AALDH1A1
SCHEMBL5891637 0.88 AVPR2 (0.47) AVPR2MAPTTSHRTACR3P2RX7
SCHEMBL5783256 0.88 AVPR2 (0.55) AVPR2MAPTTSHRP2RX7AVPR1A
SCHEMBL5785393 0.88 AVPR2 (0.49) AVPR2MAPTTSHRP2RX7AVPR1A
SCHEMBL5891429 0.87 AVPR2 (0.43) AVPR2MAPTTSHRRAB9ATACR3
SCHEMBL5785412 0.86 AVPR2 (0.49) AVPR2MAPTTSHRRAB9AAVPR1A
SCHEMBL6475340 0.86 AVPR2 (0.52) AVPR2MAPTAVPR1A
SCHEMBL5785436 0.85 AVPR2 (0.47) AVPR2MAPTTSHRP2RX7AVPR1A
SCHEMBL5785143 0.85 AVPR2 (0.48) AVPR2MAPTAVPR1A

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
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO 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
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 2687/4885TSHR 116/4885

“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.