SCHEMBL21189251

SCHEMBL21189251

Cn1nccc1COC(=O)N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.37
HTR2A P28223 3/20 0.37
PTGES O14684 3/20 0.37
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AXL P30530 1/20 0.34
MAOB P27338 1/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL19973503 0.86 PTGES (0.39) TRPV1HTR2APTGESMEN1KMT2A
SCHEMBL19973505 0.86 PTGES (0.39) TRPV1HTR2APTGESMEN1KMT2A
SCHEMBL21189337 0.86 P2RX7 (0.39) TRPV1PTGESKMT2ATP53P2RX7
SCHEMBL21189207 0.86 NAMPT (0.39) TRPV1MAOBTP53NPC1RAB9A
SCHEMBL19973602 0.86 NAMPT (0.39) TRPV1MAOBTP53NPC1RAB9A
SCHEMBL21189263 0.86 NAMPT (0.39) TRPV1MAOBTP53NPC1RAB9A
SCHEMBL21189336 0.85 TRPV1 (0.37) TRPV1PTGESMEN1KMT2AMAOB
SCHEMBL21189326 0.85 NPC1 (0.45) TRPV1MEN1KMT2AMAOBTP53
SCHEMBL21189486 0.85 NPC1 (0.45) TRPV1MEN1KMT2AMAOBTP53
SCHEMBL21189264 0.84 NPC1 (0.44) TP53NPC1RAB9AP2RX7

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 TRPV1 3647/4885HTR2A 1428/4885PTGES 4518/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TRPV1 3647/4885HTR2A 1428/4885PTGES 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.