SCHEMBL21542297

SCHEMBL21542297

C[C@H](C(=O)N[C@@H]1COc2ccc(F)cc2[C@@H]1O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 9/20 1.00
LTB4R Q15722 2/20 0.40
LTB4R2 Q9NPC1 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
AKR1B1 P15121 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL20182938 1.00 GRM7 (1.00) GRM7LTB4RLTB4R2HDAC3HDAC1
SCHEMBL21542299 1.00 GRM7 (1.00) GRM7LTB4RLTB4R2HDAC3HDAC1
SCHEMBL21542214 0.86 GRM7 (0.76) GRM7LTB4RLTB4R2
SCHEMBL20182770 0.86 GRM7 (0.76) GRM7LTB4RLTB4R2
SCHEMBL21542216 0.86 GRM7 (0.76) GRM7LTB4RLTB4R2
SCHEMBL21542320 0.86 GRM7 (0.75) GRM7LTB4RLTB4R2
SCHEMBL20165982 0.86 GRM7 (0.75) GRM7LTB4RLTB4R2
SCHEMBL20165979 0.86 GRM7 (0.75) GRM7LTB4RLTB4R2
SCHEMBL20165981 0.86 GRM7 (0.75) GRM7LTB4RLTB4R2
SCHEMBL21542318 0.86 GRM7 (0.75) GRM7LTB4RLTB4R2

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
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP claimed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US claimed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 US claimed
EP-3541812-B1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7- REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA PHARMACEUTICALS CO (JP) 2023-06-14 EP disclosed
US-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-10-11 US disclosed
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS TAKEDA CAMBRIDGE LIMITED (GB) 2019-11-14 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 (2 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-11465994-B2 MGluR7 agonist compounds for treating mGluR7-regulated diseases, disorders, or conditions GRM7, GRM2, GRM1 GRM7 1/4885LTB4R 863/4885LTB4R2 750/4885
US-20190345148-A1 MGLUR7 AGONIST COMPOUNDS FOR TREATING MGLUR7-REGULATED DISEASES, DISORDERS, OR CONDITIONS GRM7, GRM2, GRM1 GRM7 1/4885LTB4R 863/4885LTB4R2 750/4885

“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.