SCHEMBL21189250

SCHEMBL21189250

O=C(N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21)OCc1ccncn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.36
P2RX7 Q99572 4/20 0.35
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
TRPV1 Q8NER1 3/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL21189264 0.91 NPC1 (0.44) GRM4P2RX7TP53NPC1MAPT
SCHEMBL21189330 0.91 NPC1 (0.44) GRM4P2RX7TP53NPC1MAPT
SCHEMBL19973466 0.91 NPC1 (0.44) GRM4P2RX7TP53NPC1MAPT
SCHEMBL21189272 0.89 GRM4 (0.36) GRM4P2RX7TP53TRPV1NPC1
SCHEMBL21189263 0.89 NAMPT (0.39) GRM4P2RX7TP53TRPV1NPC1
SCHEMBL21189207 0.89 NAMPT (0.39) GRM4P2RX7TP53TRPV1NPC1
SCHEMBL19973602 0.89 NAMPT (0.39) GRM4P2RX7TP53TRPV1NPC1
SCHEMBL21189337 0.88 P2RX7 (0.39) GRM4P2RX7TP53TRPV1PTGES
SCHEMBL21189294 0.88 PTGES (0.37) GRM4P2RX7NPC1MAPTRAB9A
SCHEMBL21189427 0.88 NPC1 (0.39) GRM4P2RX7NPC1MAPTRAB9A

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 3439/4885P2RX7 676/4885EPHX2 1610/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS GRM4 3439/4885P2RX7 676/4885EPHX2 1610/4885

“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.