SCHEMBL19852947

SCHEMBL19852947

CCc1c(F)ccnc1F

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL12893310 0.80 NOS3 (0.39) NOS2NOS3NOS1
SCHEMBL28340170 0.78 NOS3 (0.38) NOS2NOS3NOS1
SCHEMBL18519051 0.78 NOS3 (0.38) NOS2NOS3NOS1KDM4E
SCHEMBL18398216 0.78 NOS2 (0.47) NOS2NOS3NOS1KDM4E
SCHEMBL22863922 0.78 NOS3 (0.38) NOS2NOS3NOS1
SCHEMBL1706079 0.78 NOS3 (0.38) NOS2NOS3NOS1
SCHEMBL7222119 0.77
SCHEMBL17778221 0.75 NOS2 (0.40) NOS2NOS3NOS1
SCHEMBL27278600 0.75 GCGR (0.40) NOS2NOS3
SCHEMBL1705595 0.74 CCR1 (0.41) NOS2NOS3

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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof SUNOVION PHARMACEUTICALS INC. (US) 2019-02-05 US disclosed
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF SUNOVION PHARAMCEUTICALS INC. 2018-02-08 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-10196399-B2 Metabotrophic glutamate receptor 5 modulators and methods use thereof GRM5, GRIK5, GRM2 NOS2 3024/4885NOS3 2487/4885NOS1 3358/4885
US-20180037585-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS USE THEREOF GRM5, GRIK5, GRM2 NOS2 3024/4885NOS3 2487/4885NOS1 3358/4885

“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.