SCHEMBL5658783

SCHEMBL5658783

Cn1c(-c2cccnc2)nnc1N1CCCC1c1cc(-c2cccc(C#N)c2)on1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.44
SCD5 Q86SK9 2/20 0.44
CHRNB2 P17787 2/20 0.42
CHRNA5 P30532 2/20 0.42
CHRNA4 P43681 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
USP30 Q70CQ3 7/20 0.40
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
VCP P55072 1/20 0.34
KCNA5 P22460 1/20 0.34
KCNH2 Q12809 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
SCHEMBL5658775 1.00 SCD (0.44) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL5627991 0.98 CHRNB2 (0.41) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL2896412 0.93 SCD5 (0.44) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL2896421 0.93 SCD5 (0.44) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL4559981 0.92 SCD (0.45) SCDSCD5CYP3A4CYP2C9CYP2C19
SCHEMBL4559982 0.92 SCD (0.45) SCDSCD5CYP3A4CYP2C9CYP2C19
SCHEMBL2899420 0.90 SCD (0.42) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL2899411 0.90 SCD (0.42) SCDSCD5CHRNB2CHRNA5CHRNA4
SCHEMBL5630658 0.89 SCD (0.42) SCDSCD5CYP3A4CYP2C9CYP2C19
SCHEMBL4347350 0.88 USP30 (0.44) SCDSCD5USP30HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070259923-A1 MGluR5 modulators IV 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-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259923-A1 MGluR5 modulators IV ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259923-A1 MGluR5 modulators IV 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-20070259923-A1 MGluR5 modulators IV GRM5, GRM4, GRIK5 SCD 1643/4885SCD5 412/4885CHRNB2 321/4885

“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.