SCHEMBL19200869

SCHEMBL19200869

C[C@H]1CN(c2ccc(S)cc2)C(=O)c2c(I)cnn21

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 20/20 0.50
KCNH2 Q12809 1/20 0.44

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
SCHEMBL19195678 0.88 GRM2 (0.61) GRM2KCNH2
SCHEMBL17485546 0.87 GRM2 (0.61) GRM2
SCHEMBL17478016 0.84 GRM2 (0.71) GRM2KCNH2
SCHEMBL17490644 0.84 GRM2 (0.71) GRM2KCNH2
SCHEMBL17490646 0.84 GRM2 (0.50) GRM2KCNH2
SCHEMBL17485489 0.81 GRM2 (0.68) GRM2
SCHEMBL17490642 0.81 GRM2 (0.53) GRM2KCNH2
SCHEMBL17490641 0.81 GRM2 (0.53) GRM2KCNH2
SCHEMBL22492787 0.80 GRM2 (0.61) GRM2
SCHEMBL17485488 0.80 GRM2 (0.60) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS JANSSEN PHARMACEUTICA NV (BE) 2021-06-17 US disclosed
US-10967078-B2 Radiolabelled mGluR2 PET ligands JANSSEN PHARMACEUTICA NV (BE) 2021-04-06 US disclosed
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors JANSSEN PHARMACEUTICA NV (BE) 2018-06-26 US disclosed
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-08-03 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 (4 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-10967078-B2 Radiolabelled mGluR2 PET ligands GRM2, GRM3, GRM1 GRM2 1/4885KCNH2 1222/4885
US-20170217971-A1 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 GRM2 1/4885KCNH2 1222/4885
US-10005785-B2 Substituted 6,7-dihydropyrazolo[1,5-a] pyrazines as negative allosteric modulators of mGlUR2 receptors GRM2, GRM5, GRM1 GRM2 1/4885KCNH2 939/4885
US-20210177995-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 GRM2 1/4885KCNH2 1222/4885

“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.