SCHEMBL6475735

SCHEMBL6475735

COCCN1CCN(C(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C(F)(F)F)c(C)c2)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.43
NAMPT P43490 1/20 0.40
PDE4B Q07343 1/20 0.38
AVPR1A P37288 3/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL6475993 0.92 AVPR2 (0.45) AVPR2NAMPTAVPR1AALDH1A1
SCHEMBL6475320 0.91 AVPR2 (0.39) AVPR2AVPR1AALDH1A1MAPTALOX15
SCHEMBL6476156 0.91 AVPR2 (0.39) AVPR2AVPR1AALDH1A1MAPTALOX15
SCHEMBL5783786 0.91 AVPR2 (0.42) AVPR2AVPR1AALDH1A1ALOX15CYP1A2
SCHEMBL5784602 0.90 AVPR2 (0.49) AVPR2AVPR1AMEN1KMT2A
SCHEMBL5785035 0.90 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL5787756 0.89 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL5782086 0.88 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5785061 0.88 AVPR2 (0.41) AVPR2AVPR1AALDH1A1MAPTALOX15
SCHEMBL5785928 0.88 AVPR2 (0.47) AVPR2AVPR1A

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 6 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
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 45/4885NAMPT 3471/4885PDE4B 4510/4885

“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.