SCHEMBL18833336

SCHEMBL18833336

FCCOc1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
DRD2 P14416 5/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
RBP4 P02753 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AR P10275 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL2090880 0.86 AR (0.54) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL1290763 0.86 KDM4E (0.61) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL14829861 0.85 HTR1B (0.51) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL2097943 0.85 RXRA (0.49) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL7039560 0.84 MRGPRX4 (0.48) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL5698974 0.83 RXRA (0.50) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL17842217 0.82 RXRA (0.46) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL2186851 0.82 RXRA (0.46) RXRARXRBRXRGDRD2MRGPRX4
SCHEMBL18353980 0.82 CYP1A2 (0.57) RXRARXRBRXRGMEN1KMT2A
SCHEMBL2090876 0.82 RXRA (0.50) RXRARXRBRXRGDRD2MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
EP-3004107-B1 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) 2017-05-10 EP 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-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 RXRA 474/4885RXRB 425/4885RXRG 380/4885

“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.