SCHEMBL21189337

SCHEMBL21189337

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCc1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.39
PTGES O14684 1/20 0.36
TP53 P04637 1/20 0.36
GRM4 Q14833 3/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.36
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL19973466 0.91 NPC1 (0.44) P2RX7TP53GRM4
SCHEMBL21189264 0.91 NPC1 (0.44) P2RX7TP53GRM4
SCHEMBL21189330 0.91 NPC1 (0.44) P2RX7TP53GRM4
SCHEMBL21189254 0.91 P2RX7 (0.44) P2RX7PTGESGRM4
SCHEMBL21189207 0.89 NAMPT (0.39) P2RX7TP53GRM4TRPV1
SCHEMBL21189263 0.89 NAMPT (0.39) P2RX7TP53GRM4TRPV1
SCHEMBL19973602 0.89 NAMPT (0.39) P2RX7TP53GRM4TRPV1
SCHEMBL21189427 0.88 NPC1 (0.39) P2RX7PTGESGRM4
SCHEMBL21189272 0.88 GRM4 (0.36) P2RX7TP53GRM4KMT2ATRPV1
SCHEMBL21189250 0.88 GRM4 (0.36) P2RX7PTGESTP53GRM4TRPV1

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 P2RX7 676/4885PTGES 4518/4885TP53 166/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS P2RX7 676/4885PTGES 4518/4885TP53 166/4885

“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.