SCHEMBL2889912

SCHEMBL2889912

CN=C(SC)N1CCCC1c1cc(-c2cccc(C)c2)on1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.49
HCRTR2 O43614 4/20 0.49
SCD5 Q86SK9 5/20 0.44
GRM5 P41594 8/20 0.43
SCD O00767 1/20 0.40

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
SCHEMBL2889909 1.00 HCRTR1 (0.49) HCRTR1HCRTR2SCD5GRM5SCD
SCHEMBL2889908 1.00 HCRTR1 (0.49) HCRTR1HCRTR2SCD5GRM5SCD
SCHEMBL13876925 0.90 HCRTR1 (0.52) HCRTR1HCRTR2SCD5SCD
SCHEMBL2897705 0.89 USP30 (0.47) HCRTR1HCRTR2GRM5
SCHEMBL4146420 0.89 USP30 (0.47) HCRTR1HCRTR2GRM5
SCHEMBL8230533 0.89 HCRTR1 (0.43) HCRTR1HCRTR2SCD5SCD
SCHEMBL2898392 0.89 GRM5 (0.44) HCRTR1HCRTR2SCD5GRM5
SCHEMBL14387423 0.89 HCRTR1 (0.43) HCRTR1HCRTR2SCD5SCD
SCHEMBL2898389 0.89 GRM5 (0.44) HCRTR1HCRTR2SCD5GRM5
SCHEMBL2898387 0.89 GRM5 (0.44) HCRTR1HCRTR2SCD5GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027120-A2 MGLUR5 MODULATORS I AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US claimed
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 HCRTR1 191/4885HCRTR2 96/4885SCD5 390/4885

“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.