SCHEMBL21189359

SCHEMBL21189359

Cc1cc(NC(=O)c2ccc(F)c3c2OCC[C@@H]3NC(=O)OCc2ccncn2)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 10/20 0.36
DRD4 P21917 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
AXL P30530 2/20 0.33
MERTK Q12866 2/20 0.33
FGFR3 P22607 1/20 0.33
CRACR2A Q9BSW2 1/20 0.33
MAPK14 Q16539 1/20 0.33
RAF1 P04049 1/20 0.32
MLLT1 Q03111 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR2B P41595 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
SCHEMBL21189291 0.90 NPC1 (0.41) GRM4MAPK14
SCHEMBL21189365 0.89 GRM4 (0.35) GRM4DRD4TMEM97SIGMAR1FGFR3
SCHEMBL21189277 0.88 GRM4 (0.37) GRM4DRD4TMEM97SIGMAR1HTR2B
SCHEMBL21189208 0.83 NPC1 (0.42) GRM4
SCHEMBL21189248 0.83 APOB (0.40) DRD4TMEM97SIGMAR1HTR2B
SCHEMBL21189433 0.83 APOB (0.40) DRD4TMEM97SIGMAR1HTR2B
SCHEMBL21189256 0.83 ALDH1A1 (0.39) GRM4
SCHEMBL21189250 0.82 GRM4 (0.36) GRM4
SCHEMBL26714839 0.82 NPC1 (0.42) GRM4MAPK14
SCHEMBL21189292 0.81 NPC1 (0.45) GRM4

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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS GRM4 3439/4885DRD4 4324/4885TMEM97 4242/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS GRM4 3439/4885DRD4 4324/4885TMEM97 4242/4885

“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.