SCHEMBL2899411

SCHEMBL2899411

Cn1c(-c2cnccn2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.42
SCD5 Q86SK9 2/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
KCNH2 Q12809 3/20 0.42
USP30 Q70CQ3 7/20 0.42
GRM5 P41594 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
SYK P43405 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 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
SCHEMBL2899420 1.00 SCD (0.42) SCDSCD5DRD2DRD3KCNH2
SCHEMBL5658783 0.90 SCD (0.44) SCDSCD5KCNH2USP30CYP3A4
SCHEMBL5658775 0.90 SCD (0.44) SCDSCD5KCNH2USP30CYP3A4
SCHEMBL4559981 0.89 SCD (0.45) SCDSCD5USP30GRM5CYP3A4
SCHEMBL4559982 0.89 SCD (0.45) SCDSCD5USP30GRM5CYP3A4
SCHEMBL5627991 0.88 CHRNB2 (0.41) SCDSCD5USP30CYP3A4CYP2C9
SCHEMBL2896421 0.88 SCD5 (0.44) SCDSCD5USP30CYP3A4CYP2C9
SCHEMBL2896412 0.88 SCD5 (0.44) SCDSCD5USP30CYP3A4CYP2C9
SCHEMBL2896759 0.88 GRM5 (0.42) USP30GRM5
SCHEMBL2896753 0.88 GRM5 (0.42) USP30GRM5

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 10 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
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
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 SCD 1572/4885SCD5 390/4885DRD2 293/4885

“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.