SCHEMBL2889899

SCHEMBL2889899

Cc1cccc(-c2cc(C3CCCN3c3nnc(-c4ccn(C)c(=O)c4)n3C)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.47
GRM5 P41594 11/20 0.45
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
SCD5 Q86SK9 2/20 0.36
KMT2A Q03164 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34

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
SCHEMBL2889894 1.00 SCD (0.47) SCDGRM5HCRTR1HCRTR2SCD5
SCHEMBL2897984 0.93 GRM5 (0.55) SCDGRM5HCRTR1HCRTR2
SCHEMBL2898403 0.93 GRM5 (0.55) SCDGRM5HCRTR1HCRTR2
SCHEMBL2897955 0.88 HCRTR1 (0.40) SCDGRM5HCRTR1HCRTR2SCD5
SCHEMBL2897951 0.88 HCRTR1 (0.40) SCDGRM5HCRTR1HCRTR2SCD5
SCHEMBL4085913 0.86 SCD (0.42) SCDGRM5HCRTR1HCRTR2SCD5
SCHEMBL2890593 0.85 GRM5 (0.46) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2890599 0.85 GRM5 (0.46) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2893690 0.84 GRM5 (0.55) GRM5HCRTR1HCRTR2SCD5
SCHEMBL2893687 0.84 GRM5 (0.55) GRM5HCRTR1HCRTR2SCD5

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-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
EP-2672971-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE Pharmalundensis AB (SE) 2013-12-18 EP disclosed
WO-2012108831-A1 METABOTROPIC GLUTAMATE RECEPTOR GROUP I ANTAGONISTS FOR TREATMENT OF ABNORMAL UNION OF TISSUE REDECO CHEM AB (SE) 2012-08-16 WO disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 SCD 1572/4885GRM5 1/4885HCRTR1 191/4885

“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.