SCHEMBL21189254

SCHEMBL21189254

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCc1ncccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.44
GRM4 Q14833 2/20 0.39
PTGES O14684 3/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 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
SCHEMBL21189337 0.91 P2RX7 (0.39) P2RX7GRM4PTGES
SCHEMBL21189427 0.87 NPC1 (0.39) P2RX7GRM4PTGESALDH1A1
SCHEMBL21189330 0.87 NPC1 (0.44) P2RX7GRM4POLBALDH1A1
SCHEMBL19973466 0.87 NPC1 (0.44) P2RX7GRM4POLBALDH1A1
SCHEMBL21189264 0.87 NPC1 (0.44) P2RX7GRM4POLBALDH1A1
SCHEMBL21189294 0.85 PTGES (0.37) P2RX7GRM4PTGES
SCHEMBL21189263 0.85 NAMPT (0.39) P2RX7GRM4POLBALDH1A1
SCHEMBL19973602 0.85 NAMPT (0.39) P2RX7GRM4POLBALDH1A1
SCHEMBL21189207 0.85 NAMPT (0.39) P2RX7GRM4POLBALDH1A1
SCHEMBL21189289 0.85 NPC1 (0.46) P2RX7GRM4ALDH1A1

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 676/4885GRM4 3439/4885PTGES 4518/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS P2RX7 676/4885GRM4 3439/4885PTGES 4518/4885

“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.