SCHEMBL21189491

SCHEMBL21189491

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(Cl)c3)cccc21)OCc1cnccn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.40
P2RX7 Q99572 5/20 0.39
GRM4 Q14833 2/20 0.38
FADS1 O60427 1/20 0.37
TDO2 P48775 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MALT1 Q9UDY8 1/20 0.37
NPC1 O15118 2/20 0.36
SGMS2 Q8NHU3 1/20 0.36
PTGES O14684 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21189272 0.93 GRM4 (0.36) L3MBTL1P2RX7GRM4MEN1TP53
SCHEMBL21189289 0.91 NPC1 (0.46) P2RX7GRM4FADS1LMNAMALT1
SCHEMBL21189351 0.86 KMT2A (0.38) P2RX7FADS1MEN1KMT2APTGES
SCHEMBL21189427 0.86 NPC1 (0.39) P2RX7GRM4NPC1PTGESMAPT
SCHEMBL21189294 0.84 PTGES (0.37) P2RX7GRM4NPC1PTGESMAPT
SCHEMBL21189264 0.84 NPC1 (0.44) P2RX7GRM4LMNATP53NPC1
SCHEMBL21189330 0.84 NPC1 (0.44) P2RX7GRM4LMNATP53NPC1
SCHEMBL19973466 0.84 NPC1 (0.44) P2RX7GRM4LMNATP53NPC1
SCHEMBL26714283 0.83 NPC1 (0.47) P2RX7GRM4FADS1LMNAMALT1
SCHEMBL21189250 0.83 GRM4 (0.36) P2RX7GRM4TP53NPC1PTGES

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 L3MBTL1 2663/4885P2RX7 676/4885GRM4 3439/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS L3MBTL1 2663/4885P2RX7 676/4885GRM4 3439/4885

“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.