SCHEMBL2896412

SCHEMBL2896412

Cn1c(-c2cncnc2)nnc1N1CCC[C@@H]1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.44
SCD O00767 2/20 0.44
USP30 Q70CQ3 7/20 0.40
ALOX12 P18054 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
LRRK2 Q5S007 4/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL2896421 1.00 SCD5 (0.44) SCD5SCDUSP30ALOX12CHRNB2
SCHEMBL5658783 0.93 SCD (0.44) SCD5SCDUSP30CHRNB2CHRNA5
SCHEMBL5658775 0.93 SCD (0.44) SCD5SCDUSP30CHRNB2CHRNA5
SCHEMBL4559981 0.91 SCD (0.45) SCD5SCDUSP30ALOX12HRH3
SCHEMBL4559982 0.91 SCD (0.45) SCD5SCDUSP30ALOX12HRH3
SCHEMBL5627991 0.90 CHRNB2 (0.41) SCD5SCDUSP30CHRNB2CHRNA5
SCHEMBL5630658 0.88 SCD (0.42) SCD5SCDUSP30ALOX12HRH3
SCHEMBL2899420 0.88 SCD (0.42) SCD5SCDUSP30CHRNB2CHRNA5
SCHEMBL2899411 0.88 SCD (0.42) SCD5SCDUSP30CHRNB2CHRNA5
SCHEMBL2899180 0.87 SMN1; SMN2 (0.41) USP30

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 8 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
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 SCD5 390/4885SCD 1572/4885USP30 3125/4885

“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.