SCHEMBL8085608

SCHEMBL8085608

Cc1ccc(N2CC(C(=O)O)CC2=O)cc1F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.78
POLB P06746 1/20 0.68
RECQL P46063 1/20 0.62
GRK2 P25098 1/20 0.57
KMT2A Q03164 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.57
CA12 O43570 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA4 P22748 4/20 0.56
CA7 P43166 4/20 0.56
CA9 Q16790 4/20 0.56
CA14 Q9ULX7 4/20 0.56
CA5B Q9Y2D0 4/20 0.56
CA13 Q8N1Q1 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 1/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.50

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
SCHEMBL26603162 0.89 TSHR (0.78) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL20116457 0.87 POLB (0.78) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL2858045 0.84 TSHR (0.74) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL12959507 0.84 POLB (0.68) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL30625999 0.84 POLB (0.68) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL3363897 0.82 POLB (0.74) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL3363893 0.82 POLB (0.74) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL30626009 0.81 TSHR (0.78) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL26603140 0.81 POLB (0.72) TSHRPOLBRECQLGRK2KMT2A
SCHEMBL26603110 0.81 TSHR (0.78) TSHRPOLBRECQLGRK2KMT2A

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-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO disclosed
US-4129573-A MAINTAINING TURF IN PBULIC AND TRAFFIC AREAS CIBA-GEIGY CORPORATION (US) 1978-12-12 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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 TSHR 1634/4885POLB 4712/4885RECQL 1649/4885

“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.