SCHEMBL951976

SCHEMBL951976

Fc1ccc(CN[C@H]2CCN(c3ccc(Cl)cn3)C2)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 1/20 0.49
GRM2 Q14416 2/20 0.48
GRM3 Q14832 2/20 0.48
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
ACHE P22303 3/20 0.41
BCHE P06276 2/20 0.41
BACE1 P56817 2/20 0.41
DRD4 P21917 3/20 0.41
DRD2 P14416 2/20 0.41
HTR1A P08908 2/20 0.39
HTR2A P28223 2/20 0.39
HTR7 P34969 2/20 0.39
DRD3 P35462 2/20 0.39
P2RX7 Q99572 1/20 0.39

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
SCHEMBL951977 1.00 HMOX1 (0.49) HMOX1GRM2GRM3CA12CA1
Hydrochloric Acid SCHEMBL4215877 0.88 HMOX1 (0.60) HMOX1CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL4215884 0.88 HMOX1 (0.60) HMOX1CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL4214705 0.87 HMOX1 (0.48) HMOX1GRM2GRM3CA12CA1
Hydrochloric Acid SCHEMBL4214708 0.87 HMOX1 (0.48) HMOX1GRM2GRM3CA12CA1
Hydrochloric Acid SCHEMBL4223363 0.87 GRM2 (0.58) HMOX1GRM2GRM3CA12CA1
Hydrochloric Acid SCHEMBL4223360 0.87 GRM2 (0.58) HMOX1GRM2GRM3CA12CA1
Hydrochloric Acid SCHEMBL4219718 0.85 HMOX1 (0.46) HMOX1GRM2GRM3ACHEBCHE
Hydrochloric Acid SCHEMBL4219717 0.85 HMOX1 (0.46) HMOX1GRM2GRM3ACHEBCHE
Hydrochloric Acid SCHEMBL4217884 0.83 MAPT (0.48) HMOX1CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
US-7868014-B2 1-(hetero)aryl-3-amino-pyrrolidine derivatives for use as mGluR3 antagonists ELI LILLY AND COMPANY (US) 2011-01-11 US disclosed
EP-1805165-B1 1-(HETERO)ARYL-3-AMINO-PYRROLIDINE DERIVATIVES FOR USE AS MGLUR3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-16 EP disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 US disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 US disclosed
US-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists ELI LILLY AND COMPANY (US) 2008-12-04 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-20080300266-A1 1-(Hetero)Aryl-3-Amino-Pyrrolidine Derivatives for Use as Mglur3 Antagonists GRM3, GRM1, GRIA3 HMOX1 1591/4885GRM2 5/4885GRM3 1/4885

“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.