SCHEMBL6487139

SCHEMBL6487139

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N5CCN(CCO)CC5)n4Cc4ccccc43)cc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.47
ROCK2 O75116 1/20 0.42
AVPR1A P37288 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR7 P34969 1/20 0.39
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 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
SCHEMBL5784752 0.93 AVPR2 (0.45) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL6474773 0.93 AVPR2 (0.45) AVPR2AVPR1ATSHRSMN1; SMN2MAPT
SCHEMBL5785190 0.93 AVPR2 (0.50) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL5786390 0.91 AVPR2 (0.48) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL5788479 0.90 AVPR2 (0.45) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL5785114 0.90 AVPR2 (0.48) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL6485092 0.90 AVPR2 (0.49) AVPR2ROCK2AVPR1AMEN1KMT2A
SCHEMBL5785259 0.88 AVPR2 (0.45) AVPR2ROCK2AVPR1ATSHRSMN1; SMN2
SCHEMBL6482916 0.88 AVPR2 (0.45) AVPR2ROCK2AVPR1ATSHRMAPT
SCHEMBL6485008 0.87 AVPR2 (0.46) AVPR2ROCK2AVPR1ASMN1; SMN2KDM4E

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 4 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
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885ROCK2 4789/4885AVPR1A 30/4885

“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.