SCHEMBL5890918

SCHEMBL5890918

Cc1cc(C(=O)N2Cc3ccc(C(=O)N4CCN(Cc5ccc[n+]([O-])c5)CC4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.38
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
AVPR1A P37288 2/20 0.33
OXTR P30559 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL5891001 0.88 AVPR2 (0.39) AVPR2L3MBTL1SMN1; SMN2AVPR1AOXTR
SCHEMBL5890952 0.85 AVPR1A (0.39) AVPR2AVPR1A
SCHEMBL6475993 0.85 AVPR2 (0.45) AVPR2AVPR1AOXTRALDH1A1
SCHEMBL5784602 0.85 AVPR2 (0.49) AVPR2AVPR1AOXTRMEN1KMT2A
SCHEMBL5782086 0.84 AVPR2 (0.46) AVPR2AVPR1A
SCHEMBL5783786 0.84 AVPR2 (0.42) AVPR2AVPR1AOXTRALDH1A1ALOX15
SCHEMBL5785061 0.84 AVPR2 (0.41) AVPR2AVPR1AALDH1A1MAPTALOX15
SCHEMBL6475735 0.83 AVPR2 (0.43) AVPR2AVPR1AMEN1KMT2ALMNA
SCHEMBL5785035 0.83 AVPR2 (0.42) AVPR2AVPR1AOXTR
SCHEMBL6486476 0.82 AVPR2 (0.41) 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 4 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
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 70/4885BLM 4477/4885L3MBTL1 3950/4885

“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.