SCHEMBL2890698

SCHEMBL2890698

Cn1c(-c2ccnnc2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(Cl)c2)on1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
SCD O00767 1/20 0.39
GRM5 P41594 11/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL2890710 1.00 SMN1; SMN2 (0.40) SMN1; SMN2SCDGRM5NPC1RAB9A
SCHEMBL5440803 0.91 GRM5 (0.41) SMN1; SMN2SCDGRM5NPC1RAB9A
SCHEMBL5433709 0.91 KCNH2 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL4060315 0.88 SMN1; SMN2 (0.40) SMN1; SMN2SCDGRM5NPC1RAB9A
SCHEMBL2899180 0.88 SMN1; SMN2 (0.41) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL5450497 0.88 KCNH2 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL3978138 0.87 SMN1; SMN2 (0.39) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2896759 0.86 GRM5 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL2896753 0.86 GRM5 (0.42) SMN1; SMN2GRM5NPC1RAB9AALDH1A1
SCHEMBL5628073 0.86 SMN1; SMN2 (0.39) SMN1; SMN2GRM5NPC1RAB9AALDH1A1

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 13 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
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
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-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 SMN1; SMN2 1207/4885SCD 1572/4885GRM5 1/4885

“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.