SCHEMBL6474773

SCHEMBL6474773

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)N5CCN(CCO)CC5)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 8/20 0.45
AVPR1A P37288 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
BTK Q06187 2/20 0.38
TP53 P04637 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL5785767 0.93 AVPR2 (0.43) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6487139 0.93 AVPR2 (0.47) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5785098 0.93 AVPR2 (0.50) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5785319 0.92 AVPR1A (0.43) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5782611 0.91 AVPR1A (0.42) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5783878 0.90 AVPR2 (0.41) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5786189 0.90 AVPR2 (0.48) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5786882 0.88 AVPR2 (0.43) AVPR2AVPR1ATSHRSMN1; SMN2ALDH1A1
SCHEMBL6475303 0.87 AVPR2 (0.46) AVPR2AVPR1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL6476635 0.87 AVPR2 (0.48) AVPR2AVPR1AALDH1A1BTK

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 8 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
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP claimed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US claimed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO claimed
US-6900200-B2 Tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2005-05-31 US disclosed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY 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-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 AVPR2 45/4885AVPR1A 30/4885TSHR 144/4885

“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.