SCHEMBL5046047

SCHEMBL5046047

O=C(c1ccc(F)cc1)c1cccnc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.59
KMT2A Q03164 5/20 0.54
LTA4H P09960 1/20 0.52
DHODH Q02127 3/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5653339 0.87 NAPRT (0.67) NAPRTKMT2ADHODHRAB9ANPC1
SCHEMBL23458451 0.86 NAPRT (0.59) NAPRTKMT2ALTA4HDHODHRAB9A
SCHEMBL27612856 0.85 NAPRT (0.73) NAPRTKMT2ADHODHLMNAALDH1A1
SCHEMBL4522913 0.83 LTA4H (0.49) NAPRTKMT2ALTA4HDHODHRAB9A
SCHEMBL2679689 0.83 NAPRT (0.56) NAPRTKMT2ALTA4HDHODHRAB9A
SCHEMBL9236130 0.83 KMT2A (0.62) NAPRTKMT2ALTA4HDHODHRAB9A
Hydrochloric Acid SCHEMBL2163648 0.81 LTA4H (0.47) NAPRTKMT2ALTA4HDHODHRAB9A
SCHEMBL2212405 0.81 KDM4E (0.61) NAPRTKMT2ALTA4HDHODHRAB9A
SCHEMBL5214245 0.81 NAPRT (0.54) NAPRTKMT2ADHODHNPC1LMNA
SCHEMBL28134072 0.79 CYP1A2 (0.48) KMT2ALTA4HDHODHRAB9ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361668-B2 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2008-04-22 US disclosed
US-20070275954-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2007-11-29 US disclosed
EP-1751119-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2007-02-14 EP disclosed
WO-2005111001-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2005-11-24 WO disclosed
US-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors UCB, S.A. (BE) 2005-01-27 US disclosed
EP-1438309-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2004-07-21 EP disclosed
WO-2003033495-A1 QUINUCLIDINE DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS M2 AND/OR M3 MUSCARINIC RECEPTOR INHIBITORS UCB, S.A. (BE) 2003-04-24 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 (2 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-20050020660-A1 Quinuclidine derivatives processes for preparing them and their uses as m2 and/or m3 muscarinic receptor inhibitors CHRM2, CHRM3, CHRM1 NAPRT 2804/4885KMT2A 1218/4885LTA4H 2351/4885
US-20070275954-A1 Novel Fused Heterocycles and Uses Thereof VIP, CCKBR, HRH2 NAPRT 1023/4885KMT2A 3978/4885LTA4H 240/4885

“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.