SCHEMBL5630658

SCHEMBL5630658

Cn1c(-c2ccncc2)nnc1N1CCCC[C@@H]1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.42
SCD5 Q86SK9 2/20 0.42
USP30 Q70CQ3 7/20 0.40
HRH3 Q9Y5N1 2/20 0.36
CPT2 P23786 2/20 0.36
CPT1A P50416 2/20 0.36
CPT1B Q92523 1/20 0.35
GRM5 P41594 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GSK3B P49841 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL4559981 0.97 SCD (0.45) SCDSCD5USP30HRH3GRM5
SCHEMBL4559982 0.97 SCD (0.45) SCDSCD5USP30HRH3GRM5
SCHEMBL5627991 0.92 CHRNB2 (0.41) SCDSCD5USP30HRH3CPT2
SCHEMBL5658775 0.89 SCD (0.44) SCDSCD5USP30CYP3A4CYP2C9
SCHEMBL5658783 0.89 SCD (0.44) SCDSCD5USP30CYP3A4CYP2C9
SCHEMBL4347350 0.89 USP30 (0.44) SCDSCD5USP30GRM5ALOX12
SCHEMBL4347341 0.89 USP30 (0.44) SCDSCD5USP30GRM5ALOX12
SCHEMBL2896421 0.88 SCD5 (0.44) SCDSCD5USP30HRH3CYP3A4
SCHEMBL2896412 0.88 SCD5 (0.44) SCDSCD5USP30HRH3CYP3A4
SCHEMBL5450497 0.87 KCNH2 (0.42) GRM5HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259916-A1 mGluR5 modulators II 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-20070259916-A1 mGluR5 modulators II GRM5, GRM2, GRIK5 SCD 1757/4885SCD5 378/4885USP30 3230/4885

“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.