SCHEMBL3141572

SCHEMBL3141572

O=C(c1ccc(F)c(F)c1)N1CCCC(c2noc(Cc3ccc(F)cc3)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
CLPP Q16740 1/20 0.51
PDE2A O00408 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.45
POLB P06746 1/20 0.45
PROKR1 Q8TCW9 1/20 0.43
RAB9A P51151 1/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3141564 1.00 GRM5 (0.51) GRM5CLPPPDE2AKMT2AMEN1
SCHEMBL3133574 0.92 GRM5 (0.59) GRM5CLPPKMT2AMEN1ATM
SCHEMBL3133581 0.92 GRM5 (0.59) GRM5CLPPKMT2AMEN1ATM
SCHEMBL3141649 0.88 GRM5 (0.56) GRM5CLPPKMT2AMEN1ATM
SCHEMBL3141641 0.88 GRM5 (0.56) GRM5CLPPKMT2AMEN1ATM
SCHEMBL4226969 0.84 GRM5 (0.58) GRM5CLPPPDE2AKMT2AMEN1
SCHEMBL4226976 0.84 GRM5 (0.58) GRM5CLPPPDE2AKMT2AMEN1
SCHEMBL3132075 0.83 GRM5 (0.61) GRM5CLPPKMT2AMEN1ATM
SCHEMBL3132085 0.83 GRM5 (0.61) GRM5CLPPKMT2AMEN1ATM
SCHEMBL4236998 0.80 GRM5 (0.51) GRM5CLPPPDE2AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors ADDEX PHARMA SA (CH) 2010-01-07 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-20100004284-A1 Novel Heterocyclic Compounds as Positive Allosteric Modulators of Metabotropic Glutamate Receptors GRM5, GRM1, GRIK5 GRM5 1/4885CLPP 4732/4885PDE2A 1249/4885

“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.