SCHEMBL21189307

SCHEMBL21189307

CC(=O)N1CC(COC(=O)N[C@H]2CCOc3c(C(=O)Nc4ccc(F)c(C)c4)ccc(F)c32)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HTR2B P41595 1/20 0.34
DRD4 P21917 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GRM4 Q14833 3/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 1/20 0.33
FPR1 P21462 1/20 0.33
RORC P51449 1/20 0.32
CHRM3 P20309 3/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
TRPV4 Q9HBA0 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
SCHEMBL21189309 0.88 CHRM3 (0.39) HDAC3HDAC1HDAC2LMNAMAPT
SCHEMBL21189492 0.85 CHRM3 (0.40) HDAC3HDAC1HDAC2LMNAMAPT
SCHEMBL21189248 0.84 APOB (0.40) HTR2BDRD4TMEM97SIGMAR1NPC1
SCHEMBL21189433 0.84 APOB (0.40) HTR2BDRD4TMEM97SIGMAR1NPC1
SCHEMBL21189301 0.83 GRM4 (0.34) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189302 0.83 NPC1 (0.36) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189314 0.83 DRD4 (0.33) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189312 0.83 DRD4 (0.33) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189298 0.82 IRAK4 (0.35) HTR2BDRD4TMEM97SIGMAR1GRM4
SCHEMBL21189295 0.82 IRAK4 (0.35) HTR2BDRD4TMEM97SIGMAR1GRM4

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 HDAC3 66/4885HDAC1 226/4885HDAC2 176/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS HDAC3 66/4885HDAC1 226/4885HDAC2 176/4885

“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.