SCHEMBL3109093

SCHEMBL3109093

Cc1cccc(-c2nc([C@@H](C)Sc3nnc(-c4ccn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.59
MAPT P10636 1/20 0.42
KCNT1 Q5JUK3 1/20 0.42
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 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
SCHEMBL3109098 1.00 GRM5 (0.59) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL1543652 0.85 KCNH2 (0.55) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL3113546 0.84 GRM5 (0.59) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL3113555 0.84 GRM5 (0.59) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL3109950 0.83 GRM5 (0.57) GRM5MAPTKCNH2LMNAKMT2A
SCHEMBL3109955 0.83 GRM5 (0.57) GRM5MAPTKCNH2LMNAKMT2A
SCHEMBL3117765 0.83 GRM5 (0.59) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL3117741 0.83 GRM5 (0.59) GRM5MAPTKCNT1KCNH2LMNA
SCHEMBL1544947 0.80 KDM4E (0.46) MAPTKCNT1KCNH2KMT2AALDH1A1
SCHEMBL3723647 0.79 GRM5 (0.47) GRM5MAPTKCNH2LMNAKMT2A

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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 GRM5 1/4885MAPT 1373/4885KCNT1 1890/4885

“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.